data_KVCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KVCr2
_chemical_formula_sum   'K1 V1 Cr2'
_cell_volume   65.25
_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  K2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.9  1.0
  Cr  Cr0  1  0.47  0.0  0.77  1.0
  Cr  Cr1  1  0.47  0.0  0.03  1.0

data_KVCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   2.7
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KVCr2
_chemical_formula_sum   'K1 V1 Cr2'
_cell_volume   65.25
_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
  V  V1  1  0.0  0.0  0.9  1.0
  Cr  Cr2  1  0.47  0.0  0.03  1.0
  Cr  Cr3  1  0.47  0.0  0.77  1.0

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