data_KSc2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.76
_cell_angle_alpha   133.52
_cell_angle_beta   133.52
_cell_angle_gamma   67.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2V
_chemical_formula_sum   'K1 Sc2 V1'
_cell_volume   98.62
_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  0.27  0.0  0.39  1.0
  Sc  Sc2  1  0.0  0.0  0.78  1.0
  V  V3  1  0.0  0.27  0.39  1.0

data_KSc2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.76
_cell_angle_alpha   113.24
_cell_angle_beta   113.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSc2V
_chemical_formula_sum   'K1 Sc2 V1'
_cell_volume   98.62
_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  0.22  0.0  0.22  1.0
  Sc  Sc2  1  0.61  0.0  0.88  1.0
  V  V3  1  0.88  0.27  0.88  1.0

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