data_GaGeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   141.84
_cell_angle_beta   141.84
_cell_angle_gamma   55.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaGeCl
_chemical_formula_sum   'Ga1 Ge1 Cl1'
_cell_volume   72.63
_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  0.73  1.0
  Ge  Ge2  1  0.0  0.0  0.69  1.0
  Cl  Cl0  1  0.0  0.0  0.03  1.0

data_GaGeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   117.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaGeCl
_chemical_formula_sum   'Ga2 Ge2 Cl2'
_cell_volume   145.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.23  0.5  0.73  1.0
  Ge  Ge1  2  0.19  0.5  0.69  1.0
  Cl  Cl2  2  0.03  0.0  0.03  1.0

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