data_K2CrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   8.79
_cell_angle_alpha   103.35
_cell_angle_beta   103.35
_cell_angle_gamma   58.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrGa
_chemical_formula_sum   'K2 Cr1 Ga1'
_cell_volume   153.42
_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  0.57  0.0  0.72  1.0
  K  K3  1  0.53  0.0  0.88  1.0
  Cr  Cr0  1  0.87  0.0  0.3  1.0
  Ga  Ga1  1  0.22  0.0  0.28  1.0

data_K2CrGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.6
_cell_length_c   8.79
_cell_angle_alpha   103.35
_cell_angle_beta   90.0
_cell_angle_gamma   119.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CrGa
_chemical_formula_sum   'K2 Cr1 Ga1'
_cell_volume   153.42
_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  K0  1  0.0  0.43  0.28  1.0
  K  K1  1  0.0  0.47  0.12  1.0
  Cr  Cr2  1  0.0  0.13  0.7  1.0
  Ga  Ga3  1  0.0  0.78  0.72  1.0

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