data_CrBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBi2Sb
_chemical_formula_sum   'Cr1 Bi2 Sb1'
_cell_volume   104.17
_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  Cr2  1  0.0  0.0  0.4  1.0
  Bi  Bi0  1  0.0  0.0  0.11  1.0
  Bi  Bi1  1  0.36  0.0  0.29  1.0
  Sb  Sb3  1  0.36  0.0  0.84  1.0

data_CrBi2Sb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrBi2Sb
_chemical_formula_sum   'Cr1 Bi2 Sb1'
_cell_volume   104.21
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.4  1.0
  Bi  Bi1  1  0.0  0.0  0.11  1.0
  Bi  Bi2  1  0.36  0.0  0.29  1.0
  Sb  Sb3  1  0.36  0.0  0.84  1.0

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