data_K2ScGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.71
_cell_length_b   10.71
_cell_length_c   10.71
_cell_angle_alpha   161.2
_cell_angle_beta   156.07
_cell_angle_gamma   30.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScGa
_chemical_formula_sum   'K2 Sc1 Ga1'
_cell_volume   160.55
_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  K1  1  0.75  0.0  0.16  1.0
  K  K2  1  0.0  0.22  0.17  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.33  1.0

data_K2ScGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.44
_cell_length_c   10.71
_cell_angle_alpha   101.97
_cell_angle_beta   99.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScGa
_chemical_formula_sum   'K2 Sc1 Ga1'
_cell_volume   160.55
_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  0.59  0.84  0.59  1.0
  K  K1  1  0.83  0.05  0.05  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.67  0.67  0.67  1.0

K K Sc Ga