data_CaSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   139.43
_cell_angle_beta   137.71
_cell_angle_gamma   60.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2Bi
_chemical_formula_sum   'Ca1 Sn2 Bi1'
_cell_volume   116.12
_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
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.24  0.0  0.82  1.0
  Sn  Sn3  1  0.0  0.33  0.77  1.0
  Bi  Bi0  1  0.0  0.0  0.58  1.0

data_CaSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.65
_cell_length_c   6.45
_cell_angle_alpha   111.15
_cell_angle_beta   110.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSn2Bi
_chemical_formula_sum   'Ca1 Sn2 Bi1'
_cell_volume   116.12
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.23  0.56  0.56  1.0
  Sn  Sn2  1  0.42  0.18  0.42  1.0
  Bi  Bi3  1  0.42  0.42  0.42  1.0

Ca Sn Sn Bi