# generated using pymatgen
data_ZrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.80333100
_cell_length_b   5.32811800
_cell_length_c   7.03014600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSi
_chemical_formula_sum   'Zr4 Si4'
_cell_volume   142.46307105
_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
  Zr4+  4.0
  Si4-  -4.0
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
  Zr4+  Zr0  1  0.25000000  0.12469500  0.17558300  1
  Zr4+  Zr1  1  0.75000000  0.87530500  0.82441700  1
  Zr4+  Zr2  1  0.75000000  0.62469500  0.32441700  1
  Zr4+  Zr3  1  0.25000000  0.37530500  0.67558300  1
  Si4-  Si4  1  0.25000000  0.63821400  0.04334900  1
  Si4-  Si5  1  0.75000000  0.36178600  0.95665100  1
  Si4-  Si6  1  0.75000000  0.13821400  0.45665100  1
  Si4-  Si7  1  0.25000000  0.86178600  0.54334900  1
