data_GeSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.99
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeSb2Cl
_chemical_formula_sum   'Ge1 Sb2 Cl1'
_cell_volume   97.51
_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  0.01  0.49  0.33  1.0
  Sb  Sb2  1  0.38  0.0  0.66  1.0
  Sb  Sb3  1  0.44  0.49  0.42  1.0
  Cl  Cl0  1  0.12  0.0  0.92  1.0

data_GeSb2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.41
_cell_length_b   4.99
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   GeSb2Cl
_chemical_formula_sum   'Ge1 Sb2 Cl1'
_cell_volume   97.51
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.01  0.0  0.33  1.0
  Sb  Sb1  1  0.38  0.5  0.66  1.0
  Sb  Sb2  1  0.44  0.0  0.42  1.0
  Cl  Cl3  1  0.12  0.5  0.92  1.0

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