data_Ge2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   4.97
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   106.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeCl
_chemical_formula_sum   'Ge2 Te1 Cl1'
_cell_volume   113.66
_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  Ge1  1  0.54  0.48  0.48  1.0
  Ge  Ge2  1  0.73  0.0  0.95  1.0
  Te  Te3  1  0.46  0.48  0.37  1.0
  Cl  Cl0  1  0.7  0.0  0.8  1.0

data_Ge2TeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.97
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   106.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeCl
_chemical_formula_sum   'Ge2 Te1 Cl1'
_cell_volume   113.66
_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  0.54  0.48  0.48  1.0
  Ge  Ge1  1  0.73  0.0  0.95  1.0
  Te  Te2  1  0.46  0.48  0.37  1.0
  Cl  Cl3  1  0.7  0.0  0.8  1.0

Ge Ge Te Cl
Ge Ge Te Cl 0 2 o o o 1 3 o o o 