# generated using pymatgen
data_YTh3(NiB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92100200
_cell_length_b   6.92100185
_cell_length_c   6.92100200
_cell_angle_alpha   112.75943939
_cell_angle_beta   112.75944025
_cell_angle_gamma   103.07782422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTh3(NiB4)4
_chemical_formula_sum   'Y1 Th3 Ni4 B16'
_cell_volume   252.85585640
_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
  Y  Y0  1  0.25000000  0.75000000  0.50000000  1.0
  Th  Th1  1  0.79512362  0.79512362  1.00000000  1.0
  Th  Th2  1  0.20487638  0.20487638  0.00000000  1.0
  Th  Th3  1  0.75000000  0.25000000  0.50000000  1.0
  Ni  Ni4  1  0.27290496  0.50131304  0.77159292  1.0
  Ni  Ni5  1  0.72972012  0.50131304  0.22840708  1.0
  Ni  Ni6  1  0.49868696  0.72709504  0.22840708  1.0
  Ni  Ni7  1  0.49868696  0.27027988  0.77159292  1.0
  B  B8  1  0.27487142  0.11206668  0.38579948  1.0
  B  B9  1  0.72626720  0.88907094  0.61420052  1.0
  B  B10  1  0.27487142  0.88907094  0.16280373  1.0
  B  B11  1  0.72626720  0.11206668  0.83719627  1.0
  B  B12  1  0.11092906  0.72512858  0.83719627  1.0
  B  B13  1  0.88793332  0.27373280  0.16280373  1.0
  B  B14  1  0.11092906  0.27373280  0.38579948  1.0
  B  B15  1  0.88793332  0.72512858  0.61420052  1.0
  B  B16  1  0.11555081  0.11291913  0.53263974  1.0
  B  B17  1  0.58027939  0.58291107  0.46736026  1.0
  B  B18  1  0.11555081  0.58291107  0.00263168  1.0
  B  B19  1  0.58027939  0.11291913  0.99736832  1.0
  B  B20  1  0.88708087  0.88444919  0.46736026  1.0
  B  B21  1  0.41708893  0.41972061  0.53263974  1.0
  B  B22  1  0.88708087  0.41972061  0.00263168  1.0
  B  B23  1  0.41708893  0.88444919  0.99736832  1.0