data_HfNiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   139.8
_cell_angle_beta   124.65
_cell_angle_gamma   70.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiTe2
_chemical_formula_sum   'Hf1 Ni1 Te2'
_cell_volume   84.36
_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  0.45  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.53  0.75  1.0
  Te  Te3  1  0.87  0.0  0.69  1.0

data_HfNiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.06
_cell_length_c   5.45
_cell_angle_alpha   117.68
_cell_angle_beta   110.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiTe2
_chemical_formula_sum   'Hf1 Ni1 Te2'
_cell_volume   84.36
_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  0.55  0.55  0.55  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.18  0.31  0.18  1.0
  Te  Te3  1  0.25  0.78  0.78  1.0

Hf Ni Te Te
Hf Ni Te Te 0 2 o o o 0 3 - o o 1 3 - o - 1 2 o - - 