data_HfTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   150.71
_cell_angle_beta   139.08
_cell_angle_gamma   51.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe3
_chemical_formula_sum   'Hf1 Te3'
_cell_volume   123.42
_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  0.57  1.0
  Te  Te1  1  0.84  0.0  0.33  1.0
  Te  Te2  1  0.0  0.55  0.25  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_HfTe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.09
_cell_length_c   7.29
_cell_angle_alpha   110.46
_cell_angle_beta   104.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe3
_chemical_formula_sum   'Hf1 Te3'
_cell_volume   123.42
_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  0.43  0.43  0.43  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.52  0.67  0.52  1.0
  Te  Te3  1  0.75  0.3  0.3  1.0

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