data_GeBi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   5.54
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   111.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBi2Cl
_chemical_formula_sum   'Ge1 Bi2 Cl1'
_cell_volume   125.35
_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  Ge3  1  0.41  0.77  0.83  1.0
  Bi  Bi0  1  0.41  0.0  0.17  1.0
  Bi  Bi1  1  0.22  0.77  1.0  1.0
  Cl  Cl2  1  0.25  0.0  0.53  1.0

data_GeBi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   5.4
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeBi2Cl
_chemical_formula_sum   'Ge1 Bi2 Cl1'
_cell_volume   125.35
_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  0.59  0.17  0.23  1.0
  Bi  Bi1  1  0.59  0.83  0.0  1.0
  Bi  Bi2  1  0.78  0.0  0.23  1.0
  Cl  Cl3  1  0.75  0.47  0.0  1.0

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