# generated using pymatgen
data_LiTaCl4O
_symmetry_space_group_name_H-M   Cmc2_1
_cell_length_a   3.62161600
_cell_length_b   10.21463400
_cell_length_c   10.24564500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   36
_chemical_formula_structural   LiTaCl4O
_chemical_formula_sum   'Li4 Ta4 Cl16 O4'
_cell_volume   379.02208315
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z+1/2'
  3  '-x, y, z'
  4  'x, -y, z+1/2'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Li  Li0  4  0.00000000  0.11648900  0.43891100  1
  Ta  Ta1  4  0.00000000  0.19022500  0.74819100  1
  Cl  Cl2  4  0.00000000  0.05550500  0.86839300  1
  Cl  Cl3  4  0.00000000  0.06427800  0.62122200  1
  Cl  Cl4  4  0.00000000  0.30758700  0.61723300  1
  Cl  Cl5  4  0.00000000  0.32255500  0.88363700  1
  O  O6  4  0.00000000  0.30085200  0.26117900  1
