# generated using pymatgen
data_YNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54362830
_cell_length_b   7.54362830
_cell_length_c   8.53258024
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiB4
_chemical_formula_sum   'Y8 Ni8 B32'
_cell_volume   485.55780921
_cell_formula_units_Z   8
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
  Y  Y0  1  0.00000000  0.00000000  0.79765100  1
  Y  Y1  1  0.00000000  0.00000000  0.20234900  1
  Y  Y2  1  0.50000000  0.00000000  0.75000000  1
  Y  Y3  1  0.00000000  0.50000000  0.75000000  1
  Y  Y4  1  0.50000000  0.50000000  0.29765100  1
  Y  Y5  1  0.50000000  0.50000000  0.70234900  1
  Y  Y6  1  0.00000000  0.50000000  0.25000000  1
  Y  Y7  1  0.50000000  0.00000000  0.25000000  1
  Ni  Ni8  1  0.00000000  0.77128000  0.50000000  1
  Ni  Ni9  1  0.50000000  0.72872000  0.00000000  1
  Ni  Ni10  1  0.72872000  0.50000000  0.00000000  1
  Ni  Ni11  1  0.77128000  0.00000000  0.50000000  1
  Ni  Ni12  1  0.50000000  0.27128000  0.00000000  1
  Ni  Ni13  1  0.00000000  0.22872000  0.50000000  1
  Ni  Ni14  1  0.22872000  0.00000000  0.50000000  1
  Ni  Ni15  1  0.27128000  0.50000000  0.00000000  1
  B  B16  1  0.61176000  0.77530100  0.50000000  1
  B  B17  1  0.88824000  0.72469900  0.00000000  1
  B  B18  1  0.88824000  0.27530100  0.00000000  1
  B  B19  1  0.61176000  0.22469900  0.50000000  1
  B  B20  1  0.22469900  0.61176000  0.50000000  1
  B  B21  1  0.27530100  0.88824000  0.00000000  1
  B  B22  1  0.77530100  0.61176000  0.50000000  1
  B  B23  1  0.72469900  0.88824000  0.00000000  1
  B  B24  1  0.76673600  0.76673600  0.34716000  1
  B  B25  1  0.73326400  0.73326400  0.84716000  1
  B  B26  1  0.23326400  0.76673600  0.34716000  1
  B  B27  1  0.76673600  0.23326400  0.34716000  1
  B  B28  1  0.73326400  0.73326400  0.15284000  1
  B  B29  1  0.76673600  0.76673600  0.65284000  1
  B  B30  1  0.76673600  0.23326400  0.65284000  1
  B  B31  1  0.23326400  0.76673600  0.65284000  1
  B  B32  1  0.11176000  0.27530100  0.00000000  1
  B  B33  1  0.38824000  0.22469900  0.50000000  1
  B  B34  1  0.38824000  0.77530100  0.50000000  1
  B  B35  1  0.11176000  0.72469900  0.00000000  1
  B  B36  1  0.72469900  0.11176000  0.00000000  1
  B  B37  1  0.77530100  0.38824000  0.50000000  1
  B  B38  1  0.27530100  0.11176000  0.00000000  1
  B  B39  1  0.22469900  0.38824000  0.50000000  1
  B  B40  1  0.26673600  0.26673600  0.84716000  1
  B  B41  1  0.23326400  0.23326400  0.34716000  1
  B  B42  1  0.73326400  0.26673600  0.84716000  1
  B  B43  1  0.26673600  0.73326400  0.84716000  1
  B  B44  1  0.23326400  0.23326400  0.65284000  1
  B  B45  1  0.26673600  0.26673600  0.15284000  1
  B  B46  1  0.26673600  0.73326400  0.15284000  1
  B  B47  1  0.73326400  0.26673600  0.15284000  1
