data_[Cr6W42]
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
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9207]
_cell_length_b [8.9207]
_cell_length_c [10.9554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CrW7]
_chemical_formula_sum '[Cr6 W42]'
_cell_volume [755.0203]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.3754  1.0
  W  W1  18  0.0028  0.5014  0.3744  1.0
  W  W2  18  0.0035  0.5018  0.1245  1.0
  W  W3  6  0.0000  0.0000  0.1269  1.0
]