data_KGa2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGa2Cl
_chemical_formula_sum   'K1 Ga2 Cl1'
_cell_volume   117.57
_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
  K  K3  1  0.67  0.0  0.44  1.0
  Ga  Ga1  1  0.67  0.0  0.15  1.0
  Ga  Ga2  1  0.0  0.0  0.12  1.0
  Cl  Cl0  1  0.0  0.0  0.18  1.0

data_KGa2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KGa2Cl
_chemical_formula_sum   'K1 Ga2 Cl1'
_cell_volume   117.65
_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
  K  K0  1  0.67  0.0  0.44  1.0
  Ga  Ga1  1  0.0  0.0  0.12  1.0
  Ga  Ga2  1  0.67  0.0  0.15  1.0
  Cl  Cl3  1  0.0  0.0  0.18  1.0

K Ga Ga Cl
K Ga Ga Cl 0 3 + o o 0 1 o o o 1 2 + o o 1 3 + o o 2 3 o o o 