data_CrSb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   3.45
_cell_angle_alpha   92.68
_cell_angle_beta   92.68
_cell_angle_gamma   96.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSb2W
_chemical_formula_sum   'Cr1 Sb2 W1'
_cell_volume   73.59
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.43  0.28  0.72  1.0
  Sb  Sb2  1  0.43  0.72  0.72  1.0
  W  W3  1  0.1  0.0  0.0  1.0

data_CrSb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   96.09
_cell_angle_beta   92.68
_cell_angle_gamma   92.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSb2W
_chemical_formula_sum   'Cr1 Sb2 W1'
_cell_volume   73.59
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.72  0.43  0.28  1.0
  Sb  Sb2  1  0.72  0.43  0.72  1.0
  W  W3  1  0.0  0.1  0.0  1.0

Cr Sb Sb W
Cr Sb Sb W 0 3 o o o 0 1 o o - 1 3 o o + 1 2 o o o 1 2 o - o 2 3 o + + 