data_MgIn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   5.8
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   92.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Bi
_chemical_formula_sum   'Mg1 In2 Bi1'
_cell_volume   110.26
_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  Mg3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.61  0.9  0.32  1.0
  In  In2  1  0.7  0.9  0.04  1.0
  Bi  Bi0  1  0.66  0.0  0.68  1.0

data_MgIn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.36
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Bi
_chemical_formula_sum   'Mg1 In2 Bi1'
_cell_volume   110.26
_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
  In  In1  1  0.3  0.96  0.1  1.0
  In  In2  1  0.39  0.68  0.1  1.0
  Bi  Bi3  1  0.34  0.32  0.0  1.0

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