data_GaGeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   143.4
_cell_angle_beta   138.96
_cell_angle_gamma   56.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeCl
_chemical_formula_sum   'Ga1 Ge1 Cl1'
_cell_volume   75.17
_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
  Ga  Ga1  1  0.0  0.0  0.67  1.0
  Ge  Ge2  1  0.0  0.0  0.46  1.0
  Cl  Cl0  1  0.0  0.0  0.08  1.0

data_GaGeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.05
_cell_length_c   5.78
_cell_angle_alpha   110.52
_cell_angle_beta   108.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeCl
_chemical_formula_sum   'Ga1 Ge1 Cl1'
_cell_volume   75.17
_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
  Ga  Ga0  1  0.33  0.33  0.33  1.0
  Ge  Ge1  1  0.54  0.54  0.54  1.0
  Cl  Cl2  1  0.92  0.92  0.92  1.0

Ga Ge Cl
Ga Ge Cl 0 1 o o o 0 2 o o + 1 2 o o o 