data_K2ScCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67
_cell_length_b   10.67
_cell_length_c   10.67
_cell_angle_alpha   160.81
_cell_angle_beta   156.66
_cell_angle_gamma   30.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScCr
_chemical_formula_sum   'K2 Sc1 Cr1'
_cell_volume   158.03
_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  0.78  0.0  0.09  1.0
  K  K2  1  0.0  0.16  0.2  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.3  1.0

data_K2ScCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.32
_cell_length_c   10.67
_cell_angle_alpha   101.67
_cell_angle_beta   99.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScCr
_chemical_formula_sum   'K2 Sc1 Cr1'
_cell_volume   158.03
_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  0.09  0.32  1.0
  K  K1  1  0.84  0.04  0.04  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.0  0.3  0.3  1.0

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