data_[Cu4Mo4Cl4O16]
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 [C2/m]
_cell_length_a [13.0907]
_cell_length_b [6.5632]
_cell_length_c [6.8758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuMoClO4]
_chemical_formula_sum '[Cu4 Mo4 Cl4 O16]'
_cell_volume [541.8872]
_cell_formula_units_Z [4]
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  4  0.1605  0.0000  0.1483  1
  Mo  Mo1  4  0.1687  0.5000  0.2958  1
  Cl  Cl2  4  0.0707  0.0000  0.8092  1
  O  O3  8  0.1753  0.2770  0.1412  1
  O  O4  4  0.0450  0.5000  0.3272  1
  O  O5  4  0.2164  0.0000  0.4432  1
]