data_Ge3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.43
_cell_angle_alpha   93.79
_cell_angle_beta   93.79
_cell_angle_gamma   37.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Mo
_chemical_formula_sum   'Ge3 Mo1'
_cell_volume   66.69
_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  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.1  0.0  0.18  1.0
  Ge  Ge2  1  0.01  0.0  0.24  1.0
  Mo  Mo3  1  0.56  0.0  0.21  1.0

data_Ge3Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.43
_cell_length_c   4.98
_cell_angle_alpha   93.79
_cell_angle_beta   108.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Mo
_chemical_formula_sum   'Ge3 Mo1'
_cell_volume   66.69
_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  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.18  0.1  1.0
  Ge  Ge2  1  0.0  0.24  0.01  1.0
  Mo  Mo3  1  0.0  0.21  0.56  1.0

Ge Ge Ge Mo