data_KLaV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   7.61
_cell_angle_alpha   92.12
_cell_angle_beta   92.12
_cell_angle_gamma   31.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaV2
_chemical_formula_sum   'K1 La1 V2'
_cell_volume   123.05
_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
  La  La1  1  0.17  0.0  0.8  1.0
  V  V2  1  0.89  0.0  0.9  1.0
  V  V3  1  0.44  0.0  0.71  1.0

data_KLaV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.53
_cell_length_c   7.61
_cell_angle_alpha   92.12
_cell_angle_beta   90.0
_cell_angle_gamma   106.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLaV2
_chemical_formula_sum   'K1 La1 V2'
_cell_volume   123.05
_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
  La  La1  1  0.0  0.83  0.2  1.0
  V  V2  1  0.0  0.11  0.1  1.0
  V  V3  1  0.0  0.56  0.29  1.0

K La V V