# generated using pymatgen
data_ScNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24320881
_cell_length_b   5.78015494
_cell_length_c   11.20653220
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiB4
_chemical_formula_sum   'Sc4 Ni4 B16'
_cell_volume   210.08044781
_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
  Sc  Sc0  1  -0.00000000  0.62700707  0.34959734  1.0
  Sc  Sc1  1  -0.00000000  0.37299293  0.65040266  1.0
  Sc  Sc2  1  0.00000000  0.12700707  0.15040266  1.0
  Sc  Sc3  1  0.00000000  0.87299293  0.84959734  1.0
  Ni  Ni4  1  0.00000000  0.63448059  0.08843587  1.0
  Ni  Ni5  1  -0.00000000  0.36551941  0.91156413  1.0
  Ni  Ni6  1  0.00000000  0.13448059  0.41156413  1.0
  Ni  Ni7  1  -0.00000000  0.86551941  0.58843587  1.0
  B  B8  1  0.50000000  0.78882582  0.18646039  1.0
  B  B9  1  0.50000000  0.21117418  0.81353961  1.0
  B  B10  1  0.50000000  0.28882582  0.31353961  1.0
  B  B11  1  0.50000000  0.71117418  0.68646039  1.0
  B  B12  1  0.50000000  0.86572024  0.03244221  1.0
  B  B13  1  0.50000000  0.13427976  0.96755779  1.0
  B  B14  1  0.50000000  0.36572024  0.46755779  1.0
  B  B15  1  0.50000000  0.63427976  0.53244221  1.0
  B  B16  1  0.50000000  0.88415637  0.45116179  1.0
  B  B17  1  0.50000000  0.11584363  0.54883821  1.0
  B  B18  1  0.50000000  0.38415637  0.04883821  1.0
  B  B19  1  0.50000000  0.61584363  0.95116179  1.0
  B  B20  1  0.50000000  0.97923297  0.30632559  1.0
  B  B21  1  0.50000000  0.02076703  0.69367441  1.0
  B  B22  1  0.50000000  0.47923297  0.19367441  1.0
  B  B23  1  0.50000000  0.52076703  0.80632559  1.0