data_KSc2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   8.18
_cell_angle_alpha   95.17
_cell_angle_beta   95.17
_cell_angle_gamma   42.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Ga
_chemical_formula_sum   'K1 Sc2 Ga1'
_cell_volume   122.78
_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  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.46  0.0  0.3  1.0
  Sc  Sc3  1  0.61  0.0  0.85  1.0
  Ga  Ga0  1  0.04  0.0  0.07  1.0

data_KSc2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.75
_cell_length_c   8.18
_cell_angle_alpha   95.17
_cell_angle_beta   90.0
_cell_angle_gamma   111.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2Ga
_chemical_formula_sum   'K1 Sc2 Ga1'
_cell_volume   122.78
_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  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.39  0.15  1.0
  Sc  Sc2  1  0.0  0.54  0.7  1.0
  Ga  Ga3  1  0.0  0.96  0.93  1.0

K Sc Sc Ga