data_Hf7Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   10.96
_cell_angle_alpha   116.85
_cell_angle_beta   116.85
_cell_angle_gamma   30.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf7Tl
_chemical_formula_sum   'Hf7 Tl1'
_cell_volume   180.38
_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  0.49  0.0  0.63  1.0
  Hf  Hf1  1  0.98  0.0  0.21  1.0
  Hf  Hf2  1  0.5  0.0  0.9  1.0
  Hf  Hf3  1  0.44  0.0  0.46  1.0
  Hf  Hf4  1  0.05  0.0  0.28  1.0
  Hf  Hf5  1  0.14  0.0  0.86  1.0
  Hf  Hf6  1  0.54  0.0  0.42  1.0
  Tl  Tl7  1  0.59  0.0  0.05  1.0

data_Hf7Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   6.03
_cell_length_c   9.84
_cell_angle_alpha   83.67
_cell_angle_beta   80.63
_cell_angle_gamma   74.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf7Tl
_chemical_formula_sum   'Hf7 Tl1'
_cell_volume   180.38
_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  0.13  0.42  1.0
  Hf  Hf1  1  0.0  0.28  0.86  1.0
  Hf  Hf2  1  0.0  0.61  0.9  1.0
  Hf  Hf3  1  0.0  0.76  0.28  1.0
  Hf  Hf4  1  0.0  0.77  0.21  1.0
  Hf  Hf5  1  0.0  0.86  0.63  1.0
  Hf  Hf6  1  0.0  0.98  0.46  1.0
  Tl  Tl7  1  0.0  0.54  0.05  1.0

Hf Hf Hf Hf Hf Hf Hf Tl