data_Ge2BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   143.03
_cell_angle_beta   126.19
_cell_angle_gamma   67.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BiMo
_chemical_formula_sum   'Ge2 Bi1 Mo1'
_cell_volume   80.46
_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  0.75  0.0  0.1  1.0
  Ge  Ge2  1  0.0  0.5  0.5  1.0
  Bi  Bi0  1  0.0  0.0  0.6  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Ge2BiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.0
_cell_length_c   5.52
_cell_angle_alpha   116.91
_cell_angle_beta   108.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2BiMo
_chemical_formula_sum   'Ge2 Bi1 Mo1'
_cell_volume   80.46
_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  0.5  0.0  0.0  1.0
  Ge  Ge1  1  0.65  0.9  0.65  1.0
  Bi  Bi2  1  0.4  0.4  0.4  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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