# generated using pymatgen
data_HoTh3(NiB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91354571
_cell_length_b   6.91354480
_cell_length_c   6.91354537
_cell_angle_alpha   112.77080947
_cell_angle_beta   112.77080151
_cell_angle_gamma   103.05630009
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoTh3(NiB4)4
_chemical_formula_sum   'Ho1 Th3 Ni4 B16'
_cell_volume   252.02384653
_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
  Ho  Ho0  1  0.25000000  0.75000000  0.50000000  1.0
  Th  Th1  1  0.79527612  0.79527612  1.00000000  1.0
  Th  Th2  1  0.20472388  0.20472388  0.00000000  1.0
  Th  Th3  1  0.75000000  0.25000000  0.50000000  1.0
  Ni  Ni4  1  0.27328026  0.50186681  0.77141345  1.0
  Ni  Ni5  1  0.73045336  0.50186681  0.22858655  1.0
  Ni  Ni6  1  0.49813319  0.72671974  0.22858655  1.0
  Ni  Ni7  1  0.49813319  0.26954664  0.77141345  1.0
  B  B8  1  0.27500466  0.11205662  0.38602555  1.0
  B  B9  1  0.72603207  0.88897911  0.61397445  1.0
  B  B10  1  0.27500466  0.88897911  0.16294804  1.0
  B  B11  1  0.72603207  0.11205662  0.83705196  1.0
  B  B12  1  0.11102089  0.72499534  0.83705196  1.0
  B  B13  1  0.88794338  0.27396793  0.16294804  1.0
  B  B14  1  0.11102089  0.27396793  0.38602555  1.0
  B  B15  1  0.88794338  0.72499534  0.61397445  1.0
  B  B16  1  0.11580673  0.11269768  0.53279300  1.0
  B  B17  1  0.57990468  0.58301272  0.46720700  1.0
  B  B18  1  0.11580673  0.58301272  0.00310805  1.0
  B  B19  1  0.57990468  0.11269768  0.99689195  1.0
  B  B20  1  0.88730232  0.88419327  0.46720700  1.0
  B  B21  1  0.41698728  0.42009532  0.53279300  1.0
  B  B22  1  0.88730232  0.42009532  0.00310805  1.0
  B  B23  1  0.41698728  0.88419327  0.99689195  1.0