data_K2ScV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21
_cell_length_b   9.21
_cell_length_c   4.58
_cell_angle_alpha   100.82
_cell_angle_beta   100.82
_cell_angle_gamma   22.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScV
_chemical_formula_sum   'K2 Sc1 V1'
_cell_volume   145.03
_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  0.74  0.0  0.53  1.0
  K  K1  1  0.46  0.0  0.97  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.6  0.0  0.25  1.0

data_K2ScV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.58
_cell_length_c   9.21
_cell_angle_alpha   100.82
_cell_angle_beta   101.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScV
_chemical_formula_sum   'K2 Sc1 V1'
_cell_volume   145.03
_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  0.53  0.74  1.0
  K  K1  1  0.0  0.97  0.46  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.25  0.6  1.0

K K Sc V
K K Sc V 0 3 o o o 0 2 + o + 0 2 + o o 1 3 o o + 2 2 + - o 