data_MgIn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   144.02
_cell_angle_beta   127.38
_cell_angle_gamma   65.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Bi
_chemical_formula_sum   'Mg1 In2 Bi1'
_cell_volume   110.07
_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  0.2  1.0
  In  In1  1  0.0  0.0  0.06  1.0
  In  In2  1  0.92  0.0  0.67  1.0
  Bi  Bi0  1  0.0  0.75  0.51  1.0

data_MgIn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   5.5
_cell_length_c   6.2
_cell_angle_alpha   116.31
_cell_angle_beta   107.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Bi
_chemical_formula_sum   'Mg1 In2 Bi1'
_cell_volume   110.07
_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  0.8  0.8  0.8  1.0
  In  In1  1  0.24  0.33  0.24  1.0
  In  In2  1  0.94  0.94  0.94  1.0
  Bi  Bi3  1  0.49  0.24  0.24  1.0

Mg In In Bi