data_HfTe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   13.9
_cell_length_c   25.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTe5
_chemical_formula_sum   'Hf2 Te10'
_cell_volume   1440.58
_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  0.5  0.25  0.12  1.0
  Hf  Hf1  1  0.0  0.75  0.19  1.0
  Te  Te2  1  0.0  0.35  0.05  1.0
  Te  Te3  1  0.0  0.15  0.05  1.0
  Te  Te4  1  0.5  0.75  0.1  1.0
  Te  Te5  1  0.0  0.57  0.13  1.0
  Te  Te6  1  0.0  0.93  0.13  1.0
  Te  Te7  1  0.5  0.43  0.18  1.0
  Te  Te8  1  0.5  0.07  0.18  1.0
  Te  Te9  1  0.0  0.25  0.2  1.0
  Te  Te10  1  0.5  0.65  0.25  1.0
  Te  Te11  1  0.5  0.85  0.25  1.0

Hf Hf Te Te Te Te Te Te Te Te Te Te 0 3 o o o 0 3 + o o 0 2 o o o 0 2 + o o 0 9 o o o 0 9 + o o 0 8 o o o 0 7 o o o 1 10 - o o 1 10 o o o 1 4 - o o 1 4 o o o 1 11 - o o 1 11 o o o 1 5 o o o 1 6 o o o 2 3 o o o 2 5 o o o 3 6 o - o 4 5 o o o 4 5 + o o 4 6 o o o 4 6 + o o 5 7 - o o 5 7 o o o 6 8 - + o 6 8 o + o 7 9 o o o 7 9 + o o 7 10 o o o 8 9 o o o 8 9 + o o 8 11 o - o 10 11 o o o 
data_HfTe5
_symmetry_space_group_name_H-M   Pmmn
_cell_length_a   4.01
_cell_length_b   13.9
_cell_length_c   25.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   59
_chemical_formula_structural   HfTe5
_chemical_formula_sum   'Hf2 Te10'
_cell_volume   1440.58
_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'
  5  '-x+1/2, -y+1/2, -z'
  6  'x+1/2, y+1/2, -z'
  7  '-x, y, z'
  8  '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  0.0  0.5  0.04  1.0
  Te  Te1  4  0.0  0.1  0.9  1.0
  Te  Te2  4  0.0  0.32  0.98  1.0
  Te  Te3  2  0.0  0.0  0.05  1.0
