# generated using pymatgen
data_Th3AlZn2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87265523
_cell_length_b   6.91454923
_cell_length_c   4.12877431
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.79977744
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3AlZn2Ni3
_chemical_formula_sum   'Th3 Al1 Zn2 Ni3'
_cell_volume   170.26010536
_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  0.00433549  0.42318326  0.50000000  1.0
  Th  Th1  1  0.58115223  0.57681674  0.50000000  1.0
  Th  Th2  1  0.41536164  0.00000000  0.50000000  1.0
  Al  Al3  1  0.77552401  0.00000000  0.00000000  1.0
  Zn  Zn4  1  0.00074682  0.77282339  0.00000000  1.0
  Zn  Zn5  1  0.22792443  0.22717661  0.00000000  1.0
  Ni  Ni6  1  0.34415800  0.67590022  0.00000000  1.0
  Ni  Ni7  1  0.66825878  0.32409978  0.00000000  1.0
  Ni  Ni8  1  0.98253860  0.00000000  0.50000000  1.0