data_[Cr4B4W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9562]
_cell_length_b [2.9053]
_cell_length_c [8.8525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cr2B2W]
_chemical_formula_sum '[Cr4 B4 W2]'
_cell_volume [101.1273]
_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  0.1443  0.2500  0.0988  1
  Cr  Cr1  2  0.2529  0.7500  0.5071  1
  B  B2  2  0.2069  0.2500  0.3313  1
  B  B3  2  0.3805  0.7500  0.9769  1
  W  W4  2  0.3086  0.2500  0.7611  1
]