data_KGaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGaCl2
_chemical_formula_sum   'K1 Ga1 Cl2'
_cell_volume   106.35
_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
  K  K3  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.75  0.0  0.0  1.0
  Cl  Cl0  1  0.87  0.9  0.86  1.0
  Cl  Cl1  1  0.87  0.1  0.86  1.0

data_KGaCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.73
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KGaCl2
_chemical_formula_sum   'K1 Ga1 Cl2'
_cell_volume   106.36
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.75  1.0
  Cl  Cl2  2  0.86  0.1  0.87  1.0

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