data_GaSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   139.21
_cell_angle_beta   128.55
_cell_angle_gamma   67.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn2Bi
_chemical_formula_sum   'Ga1 Sn2 Bi1'
_cell_volume   107.55
_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
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.6  0.68  1.0
  Sn  Sn3  1  0.08  0.0  0.29  1.0
  Bi  Bi0  1  0.0  0.0  0.97  1.0

data_GaSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   5.19
_cell_length_c   5.98
_cell_angle_alpha   115.73
_cell_angle_beta   110.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn2Bi
_chemical_formula_sum   'Ga1 Sn2 Bi1'
_cell_volume   107.55
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.32  0.92  0.92  1.0
  Sn  Sn2  1  0.79  0.71  0.79  1.0
  Bi  Bi3  1  0.03  0.03  0.03  1.0

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