# generated using pymatgen
data_Th2AlSi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14339308
_cell_length_b   4.14339370
_cell_length_c   8.32744879
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999499
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2AlSi2Ni
_chemical_formula_sum   'Th2 Al1 Si2 Ni1'
_cell_volume   123.80978287
_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  0.66666700  0.33333300  0.73351277  1.0
  Th  Th1  1  0.66666700  0.33333300  0.26648723  1.0
  Al  Al2  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si3  1  0.33333300  0.66666700  0.50000000  1.0
  Si  Si4  1  0.33333300  0.66666700  0.00000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.50000000  1.0