data_YHfV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.64
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   94.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfV2
_chemical_formula_sum   'Y1 Hf1 V2'
_cell_volume   79.58
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.75  0.0  0.23  1.0
  V  V1  1  0.38  0.82  0.47  1.0
  V  V2  1  0.5  0.82  0.99  1.0

data_YHfV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.64
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   94.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfV2
_chemical_formula_sum   'Y1 Hf1 V2'
_cell_volume   79.58
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.75  0.0  0.23  1.0
  V  V2  1  0.38  0.82  0.47  1.0
  V  V3  1  0.5  0.82  0.99  1.0

Y Hf V V
Y Hf V V 0 3 - - - 0 3 o - - 0 1 - o o 1 3 o - - 1 2 o - o 