# generated using pymatgen
data_SrMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48878800
_cell_length_b   5.48878800
_cell_length_c   12.22174800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMoO4
_chemical_formula_sum   'Sr4 Mo4 O16'
_cell_volume   368.20208076
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_type_symbol
 _atom_type_oxidation_number
  Sr2+  2.0
  Mo6+  6.0
  O2-  -2.0
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr2+  Sr0  1  0.50000000  0.50000000  0.00000000  1
  Sr2+  Sr1  1  0.50000000  0.00000000  0.25000000  1
  Sr2+  Sr2  1  0.00000000  0.00000000  0.50000000  1
  Sr2+  Sr3  1  0.00000000  0.50000000  0.75000000  1
  Mo6+  Mo4  1  0.00000000  0.00000000  0.00000000  1
  Mo6+  Mo5  1  0.00000000  0.50000000  0.25000000  1
  Mo6+  Mo6  1  0.50000000  0.50000000  0.50000000  1
  Mo6+  Mo7  1  0.50000000  0.00000000  0.75000000  1
  O2-  O8  1  0.76241150  0.36503950  0.16797150  1
  O2-  O9  1  0.76241150  0.86503950  0.08202850  1
  O2-  O10  1  0.13496050  0.26241150  0.33202850  1
  O2-  O11  1  0.86503950  0.73758850  0.33202850  1
  O2-  O12  1  0.63496050  0.26241150  0.41797150  1
  O2-  O13  1  0.23758850  0.13496050  0.08202850  1
  O2-  O14  1  0.23758850  0.63496050  0.16797150  1
  O2-  O15  1  0.36503950  0.73758850  0.41797150  1
  O2-  O16  1  0.26241150  0.86503950  0.66797150  1
  O2-  O17  1  0.26241150  0.36503950  0.58202850  1
  O2-  O18  1  0.63496050  0.76241150  0.83202850  1
  O2-  O19  1  0.36503950  0.23758850  0.83202850  1
  O2-  O20  1  0.13496050  0.76241150  0.91797150  1
  O2-  O21  1  0.73758850  0.63496050  0.58202850  1
  O2-  O22  1  0.73758850  0.13496050  0.66797150  1
  O2-  O23  1  0.86503950  0.23758850  0.91797150  1
