data_CrSnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99
_cell_length_b   6.95
_cell_length_c   3.37
_cell_angle_alpha   76.79
_cell_angle_beta   75.26
_cell_angle_gamma   27.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSnBi
_chemical_formula_sum   'Cr1 Sn1 Bi1'
_cell_volume   74.11
_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  0.31  0.45  0.78  1.0
  Sn  Sn2  1  0.31  0.45  0.96  1.0
  Bi  Bi0  1  0.31  0.45  0.36  1.0

data_CrSnBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   13.1
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   133.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSnBi
_chemical_formula_sum   'Cr2 Sn2 Bi2'
_cell_volume   148.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.45  0.0  0.9  1.0
  Sn  Sn1  2  0.45  0.0  0.73  1.0
  Bi  Bi2  2  0.45  0.0  0.33  1.0

Cr Sn Bi
Cr Sn Bi 0 1 o o o 0 2 o o o 1 2 o o + 