data_HfNb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77
_cell_length_b   8.77
_cell_length_c   8.77
_cell_angle_alpha   22.33
_cell_angle_beta   22.33
_cell_angle_gamma   22.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2Te
_chemical_formula_sum   'Hf1 Nb2 Te1'
_cell_volume   85.24
_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  0.16  1.0
  Nb  Nb1  1  0.0  0.0  0.53  1.0
  Nb  Nb2  1  0.0  0.0  0.47  1.0
  Te  Te3  1  0.0  0.0  0.91  1.0

data_HfNb2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   3.39
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   102.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNb2Te
_chemical_formula_sum   'Hf2 Nb4 Te2'
_cell_volume   170.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.84  1.0
  Nb  Nb1  2  -0.0  0.0  0.53  1.0
  Nb  Nb2  2  -0.0  0.0  0.47  1.0
  Te  Te3  2  -0.0  0.0  0.09  1.0

Hf Nb Nb Te