data_Mg2GaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.31
_cell_angle_alpha   103.38
_cell_angle_beta   103.38
_cell_angle_gamma   36.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaBi
_chemical_formula_sum   'Mg2 Ga1 Bi1'
_cell_volume   96.08
_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  0.27  0.0  0.94  1.0
  Mg  Mg3  1  0.62  0.0  0.34  1.0
  Ga  Ga1  1  0.62  0.0  0.17  1.0
  Bi  Bi0  1  0.76  0.0  0.42  1.0

data_Mg2GaBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.31
_cell_length_c   5.58
_cell_angle_alpha   103.38
_cell_angle_beta   108.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2GaBi
_chemical_formula_sum   'Mg2 Ga1 Bi1'
_cell_volume   96.08
_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  0.34  0.62  1.0
  Mg  Mg1  1  0.0  0.94  0.27  1.0
  Ga  Ga2  1  0.0  0.17  0.62  1.0
  Bi  Bi3  1  0.0  0.42  0.76  1.0

Mg Mg Ga Bi
Mg Mg Ga Bi 0 2 o o + 1 3 o o o 1 2 o o o 