data_KVCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   2.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KVCr
_chemical_formula_sum   'K1 V1 Cr1'
_cell_volume   54.14
_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  0.0  0.0  0.83  1.0
  V  V2  1  0.0  0.9  0.5  1.0
  Cr  Cr0  1  0.51  0.45  0.14  1.0

data_KVCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KVCr
_chemical_formula_sum   'K1 V1 Cr1'
_cell_volume   54.14
_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  0.83  0.0  0.0  1.0
  V  V1  1  0.5  0.0  0.9  1.0
  Cr  Cr2  1  0.14  0.51  0.45  1.0

K V Cr
K V Cr 0 1 o - o 0 2 o o + 0 2 o o o 0 2 - - + 1 2 o + o 1 2 - o + 1 2 - o o 2 2 o o + 