data_MgGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.97
_cell_angle_alpha   101.84
_cell_angle_beta   101.84
_cell_angle_gamma   36.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGeBi2
_chemical_formula_sum   'Mg1 Ge1 Bi2'
_cell_volume   108.25
_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  0.66  0.0  0.92  1.0
  Bi  Bi0  1  0.68  0.0  0.37  1.0
  Bi  Bi1  1  0.65  0.0  0.46  1.0

data_MgGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.59
_cell_length_c   5.97
_cell_angle_alpha   101.84
_cell_angle_beta   90.0
_cell_angle_gamma   108.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGeBi2
_chemical_formula_sum   'Mg1 Ge1 Bi2'
_cell_volume   108.25
_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  0.34  0.08  1.0
  Bi  Bi2  1  0.0  0.32  0.63  1.0
  Bi  Bi3  1  0.0  0.35  0.54  1.0

Mg Ge Bi Bi