data_MgGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   3.54
_cell_angle_alpha   92.19
_cell_angle_beta   92.19
_cell_angle_gamma   97.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGeBi2
_chemical_formula_sum   'Mg1 Ge1 Bi2'
_cell_volume   105.09
_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
  Ge  Ge2  1  0.6  0.0  0.0  1.0
  Bi  Bi0  1  0.7  0.07  0.77  1.0
  Bi  Bi1  1  0.7  0.93  0.77  1.0

data_MgGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   97.96
_cell_angle_beta   92.19
_cell_angle_gamma   92.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGeBi2
_chemical_formula_sum   'Mg1 Ge1 Bi2'
_cell_volume   105.09
_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
  Ge  Ge1  1  0.0  0.6  0.0  1.0
  Bi  Bi2  1  0.77  0.7  0.07  1.0
  Bi  Bi3  1  0.77  0.7  0.93  1.0

Mg Ge Bi Bi
Mg Ge Bi Bi 0 3 - - - 0 2 - o - 0 1 - o o 1 3 o - - 1 2 o o - 2 3 o - o 