data_[Cu2Mo2Cl4O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.7551]
_cell_length_b [11.0832]
_cell_length_c [5.7975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuMoCl2O3]
_chemical_formula_sum '[Cu2 Mo2 Cl4 O6]'
_cell_volume [233.3884]
_cell_formula_units_Z [2]
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
[
  Cu  Cu0  2  0.0000  0.0000  0.0000  1
  Mo  Mo1  2  0.1432  0.7500  0.4280  1
  Cl  Cl2  4  0.3566  0.6002  0.7925  1
  O  O3  4  0.0915  0.6259  0.2359  1
  O  O4  2  0.3017  0.2500  0.4976  1
]