data_CuSnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   7.06
_cell_angle_alpha   105.35
_cell_angle_beta   105.35
_cell_angle_gamma   54.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnBi2
_chemical_formula_sum   'Cu1 Sn1 Bi2'
_cell_volume   107.74
_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
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.91  0.0  0.37  1.0
  Bi  Bi0  1  0.35  0.0  0.36  1.0
  Bi  Bi1  1  0.46  0.0  0.38  1.0

data_CuSnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.44
_cell_length_c   7.06
_cell_angle_alpha   105.35
_cell_angle_beta   90.0
_cell_angle_gamma   117.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnBi2
_chemical_formula_sum   'Cu1 Sn1 Bi2'
_cell_volume   107.74
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.09  0.63  1.0
  Bi  Bi2  1  0.0  0.54  0.62  1.0
  Bi  Bi3  1  0.0  0.65  0.64  1.0

Cu Sn Bi Bi
Cu Sn Bi Bi 0 1 - o o 0 3 o o o 0 2 o o o 1 3 o o o 1 2 + o o 2 3 o o o 