data_GeSbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   130.02
_cell_angle_beta   130.02
_cell_angle_gamma   73.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSbMo2
_chemical_formula_sum   'Ge1 Sb1 Mo2'
_cell_volume   69.86
_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  Sb3  1  0.0  0.1  0.99  1.0
  Mo  Mo1  1  0.1  0.0  0.99  1.0
  Mo  Mo2  1  0.0  0.0  0.98  1.0

data_GeSbMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   4.96
_cell_angle_alpha   114.99
_cell_angle_beta   114.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSbMo2
_chemical_formula_sum   'Ge1 Sb1 Mo2'
_cell_volume   69.86
_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  0.89  0.99  0.89  1.0
  Mo  Mo2  1  0.98  0.98  0.98  1.0
  Mo  Mo3  1  0.99  0.89  0.89  1.0

Ge Sb Mo Mo