data_Ge2BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   141.16
_cell_angle_beta   122.47
_cell_angle_gamma   71.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BiMo
_chemical_formula_sum   'Ge2 Bi1 Mo1'
_cell_volume   79.9
_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
  Ge  Ge1  1  0.0  0.0  0.21  1.0
  Ge  Ge2  1  0.78  0.0  0.17  1.0
  Bi  Bi0  1  0.0  0.58  0.21  1.0
  Mo  Mo3  1  0.0  0.0  0.1  1.0

data_Ge2BiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.16
_cell_length_c   5.36
_cell_angle_alpha   118.76
_cell_angle_beta   109.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BiMo
_chemical_formula_sum   'Ge2 Bi1 Mo1'
_cell_volume   79.9
_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
  Ge  Ge0  1  0.61  0.83  0.61  1.0
  Ge  Ge1  1  0.79  0.79  0.79  1.0
  Bi  Bi2  1  0.79  0.37  0.37  1.0
  Mo  Mo3  1  0.9  0.9  0.9  1.0

Ge Ge Bi Mo
Ge Ge Bi Mo 0 3 o o o 0 1 - o o 0 2 o - o 1 2 + - o 2 3 o + o 2 3 o o o 