data_MgSnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   5.85
_cell_angle_alpha   103.71
_cell_angle_beta   103.71
_cell_angle_gamma   34.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnBi2
_chemical_formula_sum   'Mg1 Sn1 Bi2'
_cell_volume   114.86
_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  Mg2  1  0.04  0.0  0.82  1.0
  Sn  Sn3  1  0.67  0.0  0.24  1.0
  Bi  Bi0  1  0.97  0.0  0.55  1.0
  Bi  Bi1  1  0.35  0.0  0.56  1.0

data_MgSnBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.85
_cell_length_c   6.0
_cell_angle_alpha   103.71
_cell_angle_beta   107.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnBi2
_chemical_formula_sum   'Mg1 Sn1 Bi2'
_cell_volume   114.86
_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  0.82  0.04  1.0
  Sn  Sn1  1  0.0  0.24  0.67  1.0
  Bi  Bi2  1  0.0  0.55  0.97  1.0
  Bi  Bi3  1  0.0  0.56  0.35  1.0

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