data_KNaGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaGa2
_chemical_formula_sum   'K1 Na1 Ga2'
_cell_volume   122.54
_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  K2  1  0.55  0.0  0.18  1.0
  Na  Na3  1  0.0  0.0  0.55  1.0
  Ga  Ga0  1  0.55  0.0  0.81  1.0
  Ga  Ga1  1  0.0  0.0  0.63  1.0

data_KNaGa2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KNaGa2
_chemical_formula_sum   'K1 Na1 Ga2'
_cell_volume   122.55
_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  0.55  0.0  0.18  1.0
  Na  Na1  1  0.0  0.0  0.55  1.0
  Ga  Ga2  1  0.0  0.0  0.63  1.0
  Ga  Ga3  1  0.55  0.0  0.81  1.0

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