data_Th2Zn17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   82.99
_cell_angle_beta   82.99
_cell_angle_gamma   82.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Zn17
_chemical_formula_sum   'Th2 Zn17'
_cell_volume   315.89
_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
  Th  Th0  1  0.0  0.0  0.47  1.0
  Th  Th1  1  0.0  0.0  0.78  1.0
  Zn  Zn2  1  0.73  0.31  0.21  1.0
  Zn  Zn3  1  0.27  0.31  0.21  1.0
  Zn  Zn4  1  0.0  0.38  0.21  1.0
  Zn  Zn5  1  0.33  0.06  0.42  1.0
  Zn  Zn6  1  0.79  0.32  0.42  1.0
  Zn  Zn7  1  0.88  0.62  0.42  1.0
  Zn  Zn8  1  0.21  0.32  0.42  1.0
  Zn  Zn9  1  0.67  0.06  0.42  1.0
  Zn  Zn10  1  0.12  0.62  0.42  1.0
  Zn  Zn11  1  0.0  0.56  0.45  1.0
  Zn  Zn12  1  0.22  0.72  0.45  1.0
  Zn  Zn13  1  0.78  0.72  0.45  1.0
  Zn  Zn14  1  0.22  0.28  0.8  1.0
  Zn  Zn15  1  0.0  0.44  0.8  1.0
  Zn  Zn16  1  0.78  0.28  0.8  1.0
  Zn  Zn17  1  0.0  0.0  0.31  1.0
  Zn  Zn18  1  0.0  0.0  0.94  1.0

data_Th2Zn17
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   82.99
_cell_angle_beta   82.99
_cell_angle_gamma   82.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Zn17
_chemical_formula_sum   'Th2 Zn17'
_cell_volume   315.89
_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
  Th  Th0  1  0.0  0.0  0.22  1.0
  Th  Th1  1  0.0  0.0  0.53  1.0
  Zn  Zn2  1  0.0  0.0  0.06  1.0
  Zn  Zn3  1  0.0  0.0  0.69  1.0
  Zn  Zn4  1  0.28  0.22  0.55  1.0
  Zn  Zn5  1  0.28  0.78  0.55  1.0
  Zn  Zn6  1  0.38  0.12  0.58  1.0
  Zn  Zn7  1  0.38  0.88  0.58  1.0
  Zn  Zn8  1  0.44  0.0  0.55  1.0
  Zn  Zn9  1  0.56  -0.0  0.2  1.0
  Zn  Zn10  1  0.62  -0.0  0.79  1.0
  Zn  Zn11  1  0.68  0.21  0.58  1.0
  Zn  Zn12  1  0.68  0.79  0.58  1.0
  Zn  Zn13  1  0.69  0.27  0.79  1.0
  Zn  Zn14  1  0.69  0.73  0.79  1.0
  Zn  Zn15  1  0.72  0.22  0.2  1.0
  Zn  Zn16  1  0.72  0.78  0.2  1.0
  Zn  Zn17  1  0.94  0.33  0.58  1.0
  Zn  Zn18  1  0.94  0.67  0.58  1.0

Th Th Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn