data_Th3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Zn
_chemical_formula_sum   'Th6 Zn2'
_cell_volume   226.3
_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
  Th  Th0  1  0.0  0.09  0.09  1.0
  Th  Th1  1  0.65  0.95  0.09  1.0
  Th  Th2  1  0.35  0.95  0.09  1.0
  Th  Th3  1  0.46  0.9  0.36  1.0
  Th  Th4  1  0.81  0.05  0.36  1.0
  Th  Th5  1  0.11  0.05  0.36  1.0
  Zn  Zn6  1  0.0  1.0  0.36  1.0
  Zn  Zn7  1  0.46  1.0  0.09  1.0

data_Th3Zn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.45
_cell_length_b   6.92
_cell_length_c   6.92
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Th3Zn
_chemical_formula_sum   'Th6 Zn2'
_cell_volume   226.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.14  0.23  0.4  1.0
  Th  Th1  2  0.14  0.58  0.55  1.0
  Th  Th2  2  0.14  0.88  0.55  1.0
  Zn  Zn3  2  0.14  0.77  0.5  1.0

Th Th Th Th Th Th Zn Zn