# generated using pymatgen
data_ScNiBO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23152600
_cell_length_b   9.42145900
_cell_length_c   9.57761100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNiBO4
_chemical_formula_sum   'Sc4 Ni4 B4 O16'
_cell_volume   291.59697273
_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  0.50000000  0.88884600  0.82704200  1.0
  Sc  Sc1  1  0.50000000  0.38884600  0.17295800  1.0
  Sc  Sc2  1  0.50000000  0.89879600  0.44350400  1.0
  Sc  Sc3  1  0.50000000  0.39879600  0.55649600  1.0
  Ni  Ni4  1  0.00000000  0.12090400  0.68521400  1.0
  Ni  Ni5  1  0.00000000  0.62090400  0.31478600  1.0
  Ni  Ni6  1  0.00000000  0.10183900  0.05425000  1.0
  Ni  Ni7  1  0.00000000  0.60183900  0.94575000  1.0
  B  B8  1  0.00000000  0.16929300  0.37171600  1.0
  B  B9  1  0.00000000  0.66929300  0.62828400  1.0
  B  B10  1  0.50000000  0.83065300  0.12628300  1.0
  B  B11  1  0.50000000  0.33065300  0.87371700  1.0
  O  O12  1  0.00000000  0.24868400  0.49584700  1.0
  O  O13  1  0.00000000  0.74868400  0.50415300  1.0
  O  O14  1  0.50000000  0.74758700  0.00433500  1.0
  O  O15  1  0.50000000  0.24758700  0.99566500  1.0
  O  O16  1  0.00000000  0.23277900  0.24277100  1.0
  O  O17  1  0.00000000  0.73277900  0.75722900  1.0
  O  O18  1  0.50000000  0.76463200  0.25777600  1.0
  O  O19  1  0.50000000  0.26463200  0.74222400  1.0
  O  O20  1  0.00000000  0.00885500  0.86716400  1.0
  O  O21  1  0.00000000  0.50885500  0.13283600  1.0
  O  O22  1  0.50000000  0.98803800  0.63125200  1.0
  O  O23  1  0.50000000  0.48803800  0.36874800  1.0
  O  O24  1  0.00000000  0.02350600  0.38288900  1.0
  O  O25  1  0.00000000  0.52350600  0.61711100  1.0
  O  O26  1  0.50000000  0.97559000  0.11525900  1.0
  O  O27  1  0.50000000  0.47559000  0.88474100  1.0