data_KGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   10.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KGa
_chemical_formula_sum   'K2 Ga2'
_cell_volume   143.65
_cell_formula_units_Z   2
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  K2  1  0.6  0.36  0.11  1.0
  K  K3  1  0.6  0.64  0.01  1.0
  Ga  Ga0  1  0.6  0.36  0.54  1.0
  Ga  Ga1  1  0.6  0.64  0.57  1.0

data_KGa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   10.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.67
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KGa
_chemical_formula_sum   'K2 Ga2'
_cell_volume   143.65
_cell_formula_units_Z   2
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  2  0.5  0.14  0.95  1.0
  Ga  Ga1  2  0.5  0.14  0.52  1.0

K K Ga Ga