data_Ge2SbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   5.23
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SbCl
_chemical_formula_sum   'Ge2 Sb1 Cl1'
_cell_volume   89.58
_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  0.0  0.62  0.66  1.0
  Ge  Ge2  1  0.61  0.0  0.66  1.0
  Sb  Sb3  1  0.61  0.62  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ge2SbCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.23
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2SbCl
_chemical_formula_sum   'Ge2 Sb1 Cl1'
_cell_volume   89.58
_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  0.62  0.66  1.0
  Ge  Ge1  1  0.61  0.0  0.66  1.0
  Sb  Sb2  1  0.61  0.62  -0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ge Ge Sb Cl
Ge Ge Sb Cl 0 1 - + o 0 1 o + o 0 2 - o + 0 2 o o + 0 3 o + + 1 3 o o + 1 3 + o + 1 2 o - + 2 3 o + o 2 3 + + o 