data_GeSb2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   137.87
_cell_angle_beta   122.52
_cell_angle_gamma   73.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSb2Mo
_chemical_formula_sum   'Ge1 Sb2 Mo1'
_cell_volume   82.5
_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
  Sb  Sb2  1  0.91  0.0  0.02  1.0
  Sb  Sb3  1  0.0  0.55  0.22  1.0
  Mo  Mo1  1  0.0  0.0  0.24  1.0

data_GeSb2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.1
_cell_length_c   5.3
_cell_angle_alpha   118.74
_cell_angle_beta   111.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSb2Mo
_chemical_formula_sum   'Ge1 Sb2 Mo1'
_cell_volume   82.5
_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
  Sb  Sb1  1  0.78  0.33  0.33  1.0
  Sb  Sb2  1  0.89  0.98  0.89  1.0
  Mo  Mo3  1  0.76  0.76  0.76  1.0

Ge Sb Sb Mo