data_KVRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.32
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KVRu2
_chemical_formula_sum   'K1 V1 Ru2'
_cell_volume   78.52
_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  V3  1  0.0  0.0  0.06  1.0
  Ru  Ru1  1  0.48  0.16  0.46  1.0
  Ru  Ru2  1  0.48  0.16  0.67  1.0

data_KVRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.32
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KVRu2
_chemical_formula_sum   'K1 V1 Ru2'
_cell_volume   78.52
_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  0.06  1.0
  Ru  Ru2  1  0.48  0.16  0.46  1.0
  Ru  Ru3  1  0.48  0.16  0.67  1.0

K V Ru Ru
K V Ru Ru 0 1 o o o 2 3 o o o 