data_KYV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   9.06
_cell_angle_alpha   91.36
_cell_angle_beta   91.36
_cell_angle_gamma   43.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYV2
_chemical_formula_sum   'K1 Y1 V2'
_cell_volume   112.8
_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  0.81  0.0  0.22  1.0
  Y  Y3  1  0.76  0.0  0.64  1.0
  V  V1  1  0.82  0.0  0.08  1.0
  V  V2  1  0.89  0.0  0.64  1.0

data_KYV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.24
_cell_length_c   9.06
_cell_angle_alpha   91.36
_cell_angle_beta   90.0
_cell_angle_gamma   112.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYV2
_chemical_formula_sum   'K1 Y1 V2'
_cell_volume   112.8
_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  0.19  0.78  1.0
  Y  Y1  1  0.0  0.24  0.36  1.0
  V  V2  1  0.0  0.11  0.36  1.0
  V  V3  1  0.0  0.18  0.92  1.0

K Y V V
K Y V V 0 2 o o o 1 3 o o o 