data_[Cr2Mo12W6]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7045]
_cell_length_b [4.4522]
_cell_length_c [9.4386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cr(Mo2W)3]
_chemical_formula_sum '[Cr2 Mo12 W6]'
_cell_volume [311.6650]
_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
[
  Cr  Cr0  2  0.0485  0.2500  0.4025  1
  Mo  Mo1  2  0.0489  0.7500  0.8967  1
  Mo  Mo2  2  0.1448  0.2500  0.6939  1
  Mo  Mo3  2  0.1488  0.7500  0.2030  1
  Mo  Mo4  2  0.2427  0.7500  0.4991  1
  Mo  Mo5  2  0.3480  0.2500  0.3019  1
  Mo  Mo6  2  0.4504  0.7500  0.1009  1
  W  W7  2  0.2492  0.2500  0.9994  1
  W  W8  2  0.3467  0.7500  0.7972  1
  W  W9  2  0.4474  0.2500  0.5982  1
]