data_CrBiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   5.09
_cell_angle_alpha   101.18
_cell_angle_beta   101.18
_cell_angle_gamma   38.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBiW2
_chemical_formula_sum   'Cr1 Bi1 W2'
_cell_volume   72.51
_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  Cr1  1  0.46  0.0  0.92  1.0
  Bi  Bi0  1  0.99  0.0  0.46  1.0
  W  W2  1  0.05  0.0  0.05  1.0
  W  W3  1  0.55  0.0  0.04  1.0

data_CrBiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   4.81
_cell_length_c   5.09
_cell_angle_alpha   101.18
_cell_angle_beta   90.0
_cell_angle_gamma   109.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBiW2
_chemical_formula_sum   'Cr1 Bi1 W2'
_cell_volume   72.51
_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  0.54  0.08  1.0
  Bi  Bi1  1  0.0  0.01  0.54  1.0
  W  W2  1  0.0  0.45  0.96  1.0
  W  W3  1  0.0  0.95  0.95  1.0

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