data_K2ScBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   9.63
_cell_angle_alpha   104.36
_cell_angle_beta   104.36
_cell_angle_gamma   58.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScBi
_chemical_formula_sum   'K2 Sc1 Bi1'
_cell_volume   198.52
_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  0.08  0.0  0.72  1.0
  K  K2  1  0.14  0.0  0.3  1.0
  Sc  Sc3  1  0.96  0.0  0.59  1.0
  Bi  Bi0  1  0.84  0.0  0.24  1.0

data_K2ScBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.91
_cell_length_b   5.02
_cell_length_c   9.63
_cell_angle_alpha   104.36
_cell_angle_beta   90.0
_cell_angle_gamma   119.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScBi
_chemical_formula_sum   'K2 Sc1 Bi1'
_cell_volume   198.52
_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  0.86  0.7  1.0
  K  K1  1  0.0  0.92  0.28  1.0
  Sc  Sc2  1  0.0  0.04  0.41  1.0
  Bi  Bi3  1  0.0  0.16  0.76  1.0

K K Sc Bi
K K Sc Bi 0 2 - o o 1 3 - o o 