data_[Cr4Mo4Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  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 [9.0787]
_cell_length_b [6.8603]
_cell_length_c [8.9956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrMoClO4]
_chemical_formula_sum '[Cr4 Mo4 Cl4 O16]'
_cell_volume [486.9818]
_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
[
  Cr  Cr0  4  0.0409  0.0000  0.2150  1.0
  Mo  Mo1  4  0.1889  0.5000  0.3230  1.0
  Cl  Cl2  4  0.1979  0.0000  0.0679  1.0
  O  O3  8  0.0588  0.2902  0.2249  1.0
  O  O4  4  0.1269  0.0000  0.7013  1.0
  O  O5  4  0.2419  0.0000  0.4516  1.0
]