data_Mg2InBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   130.44
_cell_angle_beta   126.06
_cell_angle_gamma   76.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InBi
_chemical_formula_sum   'Mg2 In1 Bi1'
_cell_volume   102.15
_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  0.0  0.52  0.22  1.0
  Mg  Mg3  1  0.33  0.0  0.14  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.36  1.0

data_Mg2InBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   5.03
_cell_length_c   5.55
_cell_angle_alpha   116.97
_cell_angle_beta   114.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InBi
_chemical_formula_sum   'Mg2 In1 Bi1'
_cell_volume   102.15
_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  0.18  0.86  0.18  1.0
  Mg  Mg1  1  0.78  0.3  0.3  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.64  0.64  0.64  1.0

Mg Mg In Bi