data_MgGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.64
_cell_angle_alpha   105.18
_cell_angle_beta   105.18
_cell_angle_gamma   34.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaBi2
_chemical_formula_sum   'Mg1 Ga1 Bi2'
_cell_volume   105.44
_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  0.14  0.0  0.3  1.0
  Ga  Ga2  1  0.66  0.0  0.78  1.0
  Bi  Bi0  1  0.07  0.0  0.26  1.0
  Bi  Bi1  1  0.51  0.0  0.8  1.0

data_MgGaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.64
_cell_length_c   5.83
_cell_angle_alpha   105.18
_cell_angle_beta   107.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGaBi2
_chemical_formula_sum   'Mg1 Ga1 Bi2'
_cell_volume   105.44
_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  0.3  0.14  1.0
  Ga  Ga1  1  0.0  0.78  0.66  1.0
  Bi  Bi2  1  0.0  0.26  0.07  1.0
  Bi  Bi3  1  0.0  0.8  0.51  1.0

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