data_MgSn2Bi
_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   138.46
_cell_angle_beta   128.14
_cell_angle_gamma   68.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn2Bi
_chemical_formula_sum   'Mg1 Sn2 Bi1'
_cell_volume   109.8
_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
  Mg  Mg1  1  0.0  0.0  0.46  1.0
  Sn  Sn2  1  0.0  0.62  0.88  1.0
  Sn  Sn3  1  0.0  0.0  0.43  1.0
  Bi  Bi0  1  0.0  0.62  0.06  1.0

data_MgSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   5.23
_cell_length_c   5.98
_cell_angle_alpha   115.93
_cell_angle_beta   110.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn2Bi
_chemical_formula_sum   'Mg1 Sn2 Bi1'
_cell_volume   109.8
_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
  Mg  Mg0  1  0.0  0.46  0.46  1.0
  Sn  Sn1  1  0.0  0.43  0.43  1.0
  Sn  Sn2  1  0.38  0.27  0.27  1.0
  Bi  Bi3  1  0.38  0.45  0.45  1.0

Mg Sn Sn Bi