data_MgSn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   131.84
_cell_angle_beta   131.84
_cell_angle_gamma   70.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn2Bi
_chemical_formula_sum   'Mg1 Sn2 Bi1'
_cell_volume   110.14
_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  0.0  1.0
  Sn  Sn2  1  0.4  0.0  0.4  1.0
  Sn  Sn3  1  0.0  0.0  0.8  1.0
  Bi  Bi0  1  0.0  0.4  0.4  1.0

data_MgSn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.87
_cell_angle_alpha   114.08
_cell_angle_beta   114.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn2Bi
_chemical_formula_sum   'Mg1 Sn2 Bi1'
_cell_volume   110.14
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.4  0.0  0.0  1.0
  Sn  Sn2  1  0.8  0.8  0.8  1.0
  Bi  Bi3  1  0.0  0.4  0.0  1.0

Mg Sn Sn Bi