data_Ge2AsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   4.93
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2AsCl
_chemical_formula_sum   'Ge2 As1 Cl1'
_cell_volume   88.02
_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  Ge2  1  0.57  0.46  0.18  1.0
  Ge  Ge3  1  0.0  0.0  0.21  1.0
  As  As0  1  0.57  0.46  0.08  1.0
  Cl  Cl1  1  0.0  0.0  0.8  1.0

data_Ge2AsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.93
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2AsCl
_chemical_formula_sum   'Ge2 As1 Cl1'
_cell_volume   88.02
_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  0.21  1.0
  Ge  Ge1  1  0.57  0.46  0.18  1.0
  As  As2  1  0.57  0.46  0.08  1.0
  Cl  Cl3  1  0.0  0.0  0.8  1.0

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