data_HfNbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83
_cell_length_b   8.83
_cell_length_c   8.83
_cell_angle_alpha   22.68
_cell_angle_beta   22.68
_cell_angle_gamma   22.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbTe2
_chemical_formula_sum   'Hf1 Nb1 Te2'
_cell_volume   89.85
_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  0.9  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.26  1.0
  Te  Te3  1  0.0  0.0  0.55  1.0

data_HfNbTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.02
_cell_length_b   3.47
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   103.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNbTe2
_chemical_formula_sum   'Hf2 Nb2 Te4'
_cell_volume   179.69
_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  0.1  1.0
  Nb  Nb1  2  -0.0  0.0  0.0  1.0
  Te  Te2  2  -0.0  0.0  0.45  1.0
  Te  Te3  2  -0.0  0.0  0.74  1.0

Hf Nb Te Te
Hf Nb Te Te 0 1 o o + 0 3 o o o 1 2 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 