data_Hf2VTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VTe
_chemical_formula_sum   'Hf2 V1 Te1'
_cell_volume   82.5
_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  0.89  0.0  0.94  1.0
  Hf  Hf1  1  0.89  0.0  0.44  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.19  1.0

data_Hf2VTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VTe
_chemical_formula_sum   'Hf2 V1 Te1'
_cell_volume   82.5
_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  0.89  0.0  0.44  1.0
  Hf  Hf1  1  0.89  0.0  0.94  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.19  1.0

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