# generated using pymatgen
data_ThAl5Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20435173
_cell_length_b   6.20435210
_cell_length_c   6.20435203
_cell_angle_alpha   142.63543618
_cell_angle_beta   110.79626450
_cell_angle_gamma   81.38257442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThAl5Ni2
_chemical_formula_sum   'Th1 Al5 Ni2'
_cell_volume   131.76065283
_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  0.00000000  0.00000000  1.0
  Al  Al1  1  0.50000000  0.00000000  0.50000000  1.0
  Al  Al2  1  0.15456163  0.34195076  0.81261087  1.0
  Al  Al3  1  0.84543837  0.65804924  0.18738913  1.0
  Al  Al4  1  0.47065912  0.65804924  0.81261087  1.0
  Al  Al5  1  0.52934088  0.34195076  0.18738913  1.0
  Ni  Ni6  1  0.74473176  0.24473176  0.50000000  1.0
  Ni  Ni7  1  0.25526824  0.75526824  0.50000000  1.0