# generated using pymatgen
data_Th2Al5Cu3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11813608
_cell_length_b   5.27936383
_cell_length_c   9.02798323
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Al5Cu3Ni2
_chemical_formula_sum   'Th2 Al5 Cu3 Ni2'
_cell_volume   196.27863502
_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  0.00000000  0.99943088  0.00000000  1.0
  Th  Th1  1  0.00000000  0.50080333  0.50000000  1.0
  Al  Al2  1  0.50000000  0.49973304  0.00000000  1.0
  Al  Al3  1  0.50000000  0.74881602  0.25642033  1.0
  Al  Al4  1  0.50000000  0.25123014  0.74337706  1.0
  Al  Al5  1  0.50000000  0.25123014  0.25662294  1.0
  Al  Al6  1  0.50000000  0.74881602  0.74357967  1.0
  Cu  Cu7  1  0.00000000  0.00085958  0.33626126  1.0
  Cu  Cu8  1  0.00000000  0.00085958  0.66373874  1.0
  Cu  Cu9  1  0.50000000  0.99972456  0.50000000  1.0
  Ni  Ni10  1  0.00000000  0.49935036  0.83388876  1.0
  Ni  Ni11  1  0.00000000  0.49935036  0.16611124  1.0