# generated using pymatgen
data_YNiB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83040204
_cell_length_b   6.83040204
_cell_length_c   6.83040204
_cell_angle_alpha   112.96252512
_cell_angle_beta   112.96252512
_cell_angle_gamma   102.69388228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiB4
_chemical_formula_sum   'Y4 Ni4 B16'
_cell_volume   242.77887847
_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
  Y  Y0  1  0.79765100  0.79765100  0.00000000  1.0
  Y  Y1  1  0.20234900  0.20234900  0.00000000  1.0
  Y  Y2  1  0.75000000  0.25000000  0.50000000  1.0
  Y  Y3  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni4  1  0.27128000  0.50000000  0.77128000  1.0
  Ni  Ni5  1  0.72872000  0.50000000  0.22872000  1.0
  Ni  Ni6  1  0.50000000  0.72872000  0.22872000  1.0
  Ni  Ni7  1  0.50000000  0.27128000  0.77128000  1.0
  B  B8  1  0.27530100  0.11176000  0.38706100  1.0
  B  B9  1  0.72469900  0.88824000  0.61293900  1.0
  B  B10  1  0.27530100  0.88824000  0.16354100  1.0
  B  B11  1  0.72469900  0.11176000  0.83645900  1.0
  B  B12  1  0.11176000  0.72469900  0.83645900  1.0
  B  B13  1  0.88824000  0.27530100  0.16354100  1.0
  B  B14  1  0.11176000  0.27530100  0.38706100  1.0
  B  B15  1  0.88824000  0.72469900  0.61293900  1.0
  B  B16  1  0.11389500  0.11389500  0.53347100  1.0
  B  B17  1  0.58042400  0.58042400  0.46652900  1.0
  B  B18  1  0.11389500  0.58042400  0.00000000  1.0
  B  B19  1  0.58042400  0.11389500  0.00000000  1.0
  B  B20  1  0.88610500  0.88610500  0.46652900  1.0
  B  B21  1  0.41957600  0.41957600  0.53347100  1.0
  B  B22  1  0.88610500  0.41957600  0.00000000  1.0
  B  B23  1  0.41957600  0.88610500  0.00000000  1.0