# generated using pymatgen
data_LuNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34082869
_cell_length_b   5.83811281
_cell_length_c   11.31322638
_cell_angle_alpha   90.00023599
_cell_angle_beta   90.00000179
_cell_angle_gamma   90.00002793
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuNiB4
_chemical_formula_sum   'Lu4 Ni4 B16'
_cell_volume   220.65469201
_cell_formula_units_Z   4
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
  Lu  Lu0  1  0.50000090  0.62698958  0.64998345  1.0
  Lu  Lu1  1  0.49999872  0.37307661  0.34998725  1.0
  Lu  Lu2  1  0.49999988  0.12693550  0.84998627  1.0
  Lu  Lu3  1  0.49999856  0.87305385  0.15002358  1.0
  Ni  Ni4  1  0.50000104  0.63342367  0.91164216  1.0
  Ni  Ni5  1  0.50000191  0.36652835  0.08864268  1.0
  Ni  Ni6  1  0.49999926  0.13343454  0.58837848  1.0
  Ni  Ni7  1  0.50000141  0.86652438  0.41140248  1.0
  B  B8  1  -0.00000084  0.86352154  0.96719845  1.0
  B  B9  1  -0.00000052  0.13648794  0.03285716  1.0
  B  B10  1  0.00000019  0.36354325  0.53279110  1.0
  B  B11  1  0.00000055  0.63650575  0.46713620  1.0
  B  B12  1  0.00000023  0.97852386  0.69191148  1.0
  B  B13  1  -0.00000027  0.02147194  0.30804395  1.0
  B  B14  1  0.00000003  0.47853568  0.80806817  1.0
  B  B15  1  -0.00000053  0.52146990  0.19196629  1.0
  B  B16  1  0.00000002  0.78584850  0.81456225  1.0
  B  B17  1  -0.00000033  0.21410503  0.18546851  1.0
  B  B18  1  0.00000018  0.28587776  0.68542274  1.0
  B  B19  1  -0.00000019  0.71410952  0.31453760  1.0
  B  B20  1  0.00000043  0.88579285  0.54752428  1.0
  B  B21  1  0.00000015  0.11424932  0.45240754  1.0
  B  B22  1  -0.00000027  0.38576750  0.95246388  1.0
  B  B23  1  -0.00000050  0.61422418  0.04759303  1.0