data_HfTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   4.01
_cell_length_c   10.54
_cell_angle_alpha   90.0
_cell_angle_beta   96.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe3
_chemical_formula_sum   'Hf2 Te6'
_cell_volume   243.88
_cell_formula_units_Z   2
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  0.85  0.0  0.91  1.0
  Hf  Hf1  1  0.76  0.0  0.56  1.0
  Te  Te2  1  0.76  0.0  0.74  1.0
  Te  Te3  1  0.85  0.0  0.73  1.0
  Te  Te4  1  0.34  0.0  0.89  1.0
  Te  Te5  1  0.28  0.0  0.59  1.0
  Te  Te6  1  0.15  0.0  0.81  1.0
  Te  Te7  1  0.46  0.0  0.66  1.0

data_HfTe3
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   5.81
_cell_length_b   4.01
_cell_length_c   10.54
_cell_angle_alpha   90.0
_cell_angle_beta   96.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   HfTe3
_chemical_formula_sum   'Hf2 Te6'
_cell_volume   243.88
_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, y, -z'
  4  '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  2  0.45  0.0  0.33  1.0
  Te  Te1  2  0.03  0.0  0.65  1.0
  Te  Te2  2  0.15  0.0  0.43  1.0
  Te  Te3  2  0.46  0.0  0.5  1.0

Hf Hf Te Te Te Te Te Te
Hf Hf Te Te Te Te Te Te 0 3 o o o 0 2 o o o 0 6 + o o 1 7 o o o 1 3 o o o 1 2 o o o 2 3 o o o 4 6 o o o 5 7 o o o 