# generated using pymatgen
data_MoCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76497319
_cell_length_b   5.76497319
_cell_length_c   12.23468500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoCl4
_chemical_formula_sum   'Mo3 Cl12'
_cell_volume   352.14218000
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
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
  Mo  Mo0  1  0.00000000  0.00000000  0.50000000  1.0
  Mo  Mo1  1  0.66666700  0.33333300  0.00000000  1.0
  Mo  Mo2  1  0.33333300  0.66666700  0.00000000  1.0
  Cl  Cl3  1  0.67459100  0.00000000  0.12111300  1.0
  Cl  Cl4  1  0.32540900  0.32540900  0.12111300  1.0
  Cl  Cl5  1  0.00000000  0.67459100  0.12111300  1.0
  Cl  Cl6  1  0.32136300  0.32136300  0.61297100  1.0
  Cl  Cl7  1  0.00000000  0.67863700  0.61297100  1.0
  Cl  Cl8  1  0.67863700  0.00000000  0.61297100  1.0
  Cl  Cl9  1  0.00000000  0.32136300  0.38702900  1.0
  Cl  Cl10  1  0.32136300  0.00000000  0.38702900  1.0
  Cl  Cl11  1  0.67863700  0.67863700  0.38702900  1.0
  Cl  Cl12  1  0.32540900  0.00000000  0.87888700  1.0
  Cl  Cl13  1  0.67459100  0.67459100  0.87888700  1.0
  Cl  Cl14  1  0.00000000  0.32540900  0.87888700  1.0