data_Hf3TePb4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   60.1
_cell_angle_beta   60.1
_cell_angle_gamma   60.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3TePb4O13
_chemical_formula_sum   'Hf3 Te1 Pb4 O13'
_cell_volume   314.41
_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  0.8  0.45  1.0
  Hf  Hf1  1  0.1  0.1  0.45  1.0
  Hf  Hf2  1  0.9  0.1  0.45  1.0
  Te  Te3  1  0.0  0.0  0.34  1.0
  Pb  Pb4  1  0.0  0.8  0.12  1.0
  Pb  Pb5  1  0.09  0.1  0.12  1.0
  Pb  Pb6  1  0.91  0.1  0.12  1.0
  Pb  Pb7  1  0.0  0.0  0.66  1.0
  O  O8  1  0.52  0.88  0.68  1.0
  O  O9  1  0.59  0.19  0.27  1.0
  O  O10  1  0.48  0.88  0.68  1.0
  O  O11  1  0.41  0.19  0.27  1.0
  O  O12  1  0.0  0.25  0.68  1.0
  O  O13  1  0.0  0.63  0.27  1.0
  O  O14  1  0.52  0.14  0.98  1.0
  O  O15  1  0.4  0.81  0.42  1.0
  O  O16  1  0.48  0.14  0.98  1.0
  O  O17  1  0.6  0.81  0.42  1.0
  O  O18  1  0.0  0.71  0.98  1.0
  O  O19  1  0.0  0.38  0.42  1.0
  O  O20  1  0.0  0.0  0.28  1.0

data_Hf3TePb4O13
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   60.1
_cell_angle_beta   60.1
_cell_angle_gamma   60.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3TePb4O13
_chemical_formula_sum   'Hf3 Te1 Pb4 O13'
_cell_volume   314.41
_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  0.2  0.0  0.55  1.0
  Hf  Hf1  1  0.9  0.1  0.55  1.0
  Hf  Hf2  1  0.9  0.9  0.55  1.0
  Te  Te3  1  0.0  0.0  0.66  1.0
  Pb  Pb4  1  0.0  0.0  0.34  1.0
  Pb  Pb5  1  0.2  0.0  0.88  1.0
  Pb  Pb6  1  0.9  0.09  0.88  1.0
  Pb  Pb7  1  0.9  0.91  0.88  1.0
  O  O8  1  0.0  0.0  0.72  1.0
  O  O9  1  0.12  0.48  0.32  1.0
  O  O10  1  0.12  0.52  0.32  1.0
  O  O11  1  0.19  0.4  0.58  1.0
  O  O12  1  0.19  0.6  0.58  1.0
  O  O13  1  0.29  0.0  0.02  1.0
  O  O14  1  0.37  0.0  0.73  1.0
  O  O15  1  0.62  0.0  0.58  1.0
  O  O16  1  0.75  0.0  0.32  1.0
  O  O17  1  0.81  0.41  0.73  1.0
  O  O18  1  0.81  0.59  0.73  1.0
  O  O19  1  0.86  0.48  0.02  1.0
  O  O20  1  0.86  0.52  0.02  1.0

Hf Hf Hf Te Pb Pb Pb Pb O O O O O O O O O O O O O
Hf Hf Hf Te Pb Pb Pb Pb O O O O O O O O O O O O O 0 20 o + o 0 3 o + o 1 7 o o o 1 2 - o o 1 19 o o o 2 3 + o o 3 20 o o o 3 5 o o o 4 13 o o o 4 18 o o - 5 20 o o o 5 6 - o o 6 20 + o o 7 12 o o o 8 10 o o o 9 11 o o o 12 19 o o o 13 19 o o o 14 16 o o o 15 17 o o o 