data_HfTa2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.66
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2V
_chemical_formula_sum   'Hf1 Ta2 V1'
_cell_volume   73.18
_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
  Hf  Hf0  1  0.0  0.0  0.77  1.0
  Ta  Ta1  1  0.42  0.33  0.19  1.0
  Ta  Ta2  1  0.42  0.33  0.35  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_HfTa2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.66
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2V
_chemical_formula_sum   'Hf1 Ta2 V1'
_cell_volume   73.18
_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
  Hf  Hf0  1  0.0  0.0  0.77  1.0
  Ta  Ta1  1  0.42  0.33  0.19  1.0
  Ta  Ta2  1  0.42  0.33  0.35  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Hf Ta Ta V
Hf Ta Ta V 0 3 o o + 1 2 o o o 