data_GeTeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.78
_cell_angle_alpha   106.32
_cell_angle_beta   106.32
_cell_angle_gamma   39.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTeMo2
_chemical_formula_sum   'Ge1 Te1 Mo2'
_cell_volume   69.68
_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  0.55  0.0  0.82  1.0
  Te  Te3  1  0.88  0.0  0.45  1.0
  Mo  Mo1  1  0.94  0.0  0.3  1.0
  Mo  Mo2  1  0.3  0.0  0.27  1.0

data_GeTeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.78
_cell_length_c   4.89
_cell_angle_alpha   106.32
_cell_angle_beta   109.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTeMo2
_chemical_formula_sum   'Ge1 Te1 Mo2'
_cell_volume   69.68
_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  0.82  0.55  1.0
  Te  Te1  1  0.0  0.45  0.88  1.0
  Mo  Mo2  1  0.0  0.27  0.3  1.0
  Mo  Mo3  1  0.0  0.3  0.94  1.0

Ge Te Mo Mo