data_KV2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.28
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KV2Au
_chemical_formula_sum   'K1 V2 Au1'
_cell_volume   99.05
_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  0.0  1.0
  V  V2  1  0.58  0.14  0.72  1.0
  V  V3  1  0.58  0.14  0.59  1.0
  Au  Au0  1  0.0  0.0  0.66  1.0

data_KV2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.28
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KV2Au
_chemical_formula_sum   'K1 V2 Au1'
_cell_volume   99.05
_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  0.58  0.14  0.59  1.0
  V  V2  1  0.58  0.14  0.72  1.0
  Au  Au3  1  0.0  0.0  0.66  1.0

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