data_HfNiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.35
_cell_length_c   3.44
_cell_angle_alpha   73.45
_cell_angle_beta   69.48
_cell_angle_gamma   37.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiTe
_chemical_formula_sum   'Hf1 Ni1 Te1'
_cell_volume   56.94
_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  0.29  0.57  0.18  1.0
  Ni  Ni1  1  0.29  0.57  0.35  1.0
  Te  Te2  1  0.29  0.57  0.14  1.0

data_HfNiTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   9.67
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   131.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNiTe
_chemical_formula_sum   'Hf2 Ni2 Te2'
_cell_volume   113.88
_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  0.46  0.5  0.53  1.0
  Ni  Ni1  2  0.29  0.5  0.36  1.0
  Te  Te2  2  0.0  0.0  0.57  1.0

Hf Ni Te