data_[Cr42W6]
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 [8.2071]
_cell_length_b [8.2071]
_cell_length_c [10.1055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cr7W]
_chemical_formula_sum '[Cr42 W6]'
_cell_volume [589.4791]
_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  18  0.0036  0.5018  0.8732  1.0
  Cr  Cr1  18  0.0051  0.5025  0.6238  1.0
  Cr  Cr2  6  0.0000  0.0000  0.1210  1.0
  W  W3  6  0.0000  0.0000  0.3704  1.0
]