# generated using pymatgen
data_LaTh3(NiB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96677754
_cell_length_b   6.96678413
_cell_length_c   6.96677071
_cell_angle_alpha   112.65708573
_cell_angle_beta   112.65700411
_cell_angle_gamma   103.27127510
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTh3(NiB4)4
_chemical_formula_sum   'La1 Th3 Ni4 B16'
_cell_volume   258.04976644
_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
  La  La0  1  0.20492884  0.20492504  0.99999652  1.0
  Th  Th1  1  0.25032885  0.75032940  0.50000284  1.0
  Th  Th2  1  0.75031931  0.25031610  0.50000039  1.0
  Th  Th3  1  0.79502755  0.79502979  0.00000320  1.0
  Ni  Ni4  1  0.50170140  0.72992948  0.22824424  1.0
  Ni  Ni5  1  0.72991657  0.50169661  0.22824380  1.0
  Ni  Ni6  1  0.27345389  0.50167463  0.77175454  1.0
  Ni  Ni7  1  0.50166907  0.27344907  0.77175231  1.0
  B  B8  1  0.11234265  0.11234286  0.52835831  1.0
  B  B9  1  0.58398574  0.58398463  0.47164374  1.0
  B  B10  1  0.88464361  0.88464289  0.46718052  1.0
  B  B11  1  0.58398491  0.11234207  0.00000054  1.0
  B  B12  1  0.11234288  0.58398372  0.99999921  1.0
  B  B13  1  0.88464127  0.41746300  0.00000065  1.0
  B  B14  1  0.41746324  0.88463910  0.99999887  1.0
  B  B15  1  0.41746311  0.41746351  0.53282239  1.0
  B  B16  1  0.11147660  0.27488699  0.38741468  1.0
  B  B17  1  0.27488932  0.88746820  0.16341065  1.0
  B  B18  1  0.72405730  0.11147980  0.83658861  1.0
  B  B19  1  0.11147887  0.72405804  0.83658870  1.0
  B  B20  1  0.88746897  0.27488969  0.16341095  1.0
  B  B21  1  0.88747190  0.72406082  0.61258525  1.0
  B  B22  1  0.72405935  0.88747051  0.61258353  1.0
  B  B23  1  0.27488780  0.11147707  0.38741556  1.0