data_CrSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.0
_cell_length_b   10.0
_cell_length_c   10.0
_cell_angle_alpha   19.15
_cell_angle_beta   19.15
_cell_angle_gamma   19.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSn2Bi
_chemical_formula_sum   'Cr1 Sn2 Bi1'
_cell_volume   93.91
_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  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.89  1.0
  Sn  Sn3  1  0.0  0.0  0.54  1.0
  Bi  Bi0  1  0.0  0.0  0.71  1.0

data_CrSn2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   3.32
_cell_length_c   10.0
_cell_angle_alpha   90.0
_cell_angle_beta   101.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSn2Bi
_chemical_formula_sum   'Cr2 Sn4 Bi2'
_cell_volume   187.81
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  2  -0.0  0.0  0.46  1.0
  Sn  Sn2  2  -0.0  0.0  0.11  1.0
  Bi  Bi3  2  -0.0  0.0  0.29  1.0

Cr Sn Sn Bi
Cr Sn Sn Bi 0 1 o o - 1 3 o o o 2 3 o o o 