data_Ge2TeMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeMo
_chemical_formula_sum   'Ge2 Te1 Mo1'
_cell_volume   75.81
_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  0.47  0.04  0.64  1.0
  Ge  Ge1  1  0.47  0.96  0.64  1.0
  Te  Te3  1  0.95  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Ge2TeMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   106.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeMo
_chemical_formula_sum   'Ge2 Te1 Mo1'
_cell_volume   75.81
_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  0.64  0.47  0.04  1.0
  Ge  Ge1  1  0.64  0.47  0.96  1.0
  Te  Te2  1  -0.0  0.95  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ge Ge Te Mo
Ge Ge Te Mo 0 1 o - o 2 3 + o o 