data_[Cr4W4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3553]
_cell_length_b [6.2189]
_cell_length_c [4.6907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrWO4]
_chemical_formula_sum '[Cr4 W4 O16]'
_cell_volume [272.8227]
_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  0.2500  0.2500  0.5000  1.0
  W  W1  2  0.0000  0.0000  0.0000  1.0
  W  W2  2  0.0000  0.5000  0.0000  1.0
  O  O3  8  0.0974  0.7671  0.8039  1.0
  O  O4  4  0.1499  0.5000  0.3123  1.0
  O  O5  4  0.1517  0.0000  0.2942  1.0
]