data_MgInBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.14
_cell_length_c   3.46
_cell_angle_alpha   76.65
_cell_angle_beta   75.36
_cell_angle_gamma   27.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgInBi
_chemical_formula_sum   'Mg1 In1 Bi1'
_cell_volume   80.7
_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  0.39  0.51  0.46  1.0
  In  In1  1  0.39  0.51  0.17  1.0
  Bi  Bi0  1  0.39  0.51  0.3  1.0

data_MgInBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   13.46
_cell_length_c   3.46
_cell_angle_alpha   90.0
_cell_angle_beta   133.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgInBi
_chemical_formula_sum   'Mg2 In2 Bi2'
_cell_volume   161.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.01  0.5  0.15  1.0
  In  In1  2  0.01  0.5  0.44  1.0
  Bi  Bi2  2  0.01  0.5  0.31  1.0

Mg In Bi