# generated using pymatgen
data_Th3Al2CuNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86755676
_cell_length_b   6.92214642
_cell_length_c   4.11261515
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.26329423
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Al2CuNi3
_chemical_formula_sum   'Th3 Al2 Cu1 Ni3'
_cell_volume   168.86256370
_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  0.42980349  0.50000000  1.0
  Th  Th1  1  0.59213872  0.58145372  0.50000000  1.0
  Th  Th2  1  0.40786128  0.98931500  0.50000000  1.0
  Al  Al3  1  0.22631788  0.22306276  0.00000000  1.0
  Al  Al4  1  0.77368212  0.99674488  0.00000000  1.0
  Cu  Cu5  1  0.00000000  0.77747135  0.00000000  1.0
  Ni  Ni6  1  0.34733690  0.66199080  0.00000000  1.0
  Ni  Ni7  1  0.65266310  0.31465290  0.00000000  1.0
  Ni  Ni8  1  0.00000000  0.02550510  0.50000000  1.0