data_KScIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   151.69
_cell_angle_beta   130.09
_cell_angle_gamma   58.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScIn2
_chemical_formula_sum   'K1 Sc1 In2'
_cell_volume   115.57
_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  0.0  0.0  0.88  1.0
  Sc  Sc3  1  0.0  0.89  0.41  1.0
  In  In0  1  0.0  0.0  0.01  1.0
  In  In1  1  0.67  0.0  0.66  1.0

data_KScIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.78
_cell_length_c   6.84
_cell_angle_alpha   114.95
_cell_angle_beta   104.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScIn2
_chemical_formula_sum   'K1 Sc1 In2'
_cell_volume   115.57
_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  0.88  0.88  1.0
  Sc  Sc1  1  0.11  0.52  0.52  1.0
  In  In2  1  0.0  0.01  0.01  1.0
  In  In3  1  0.0  0.66  0.99  1.0

K Sc In In