# generated using pymatgen
data_Ce2NiB8Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96276231
_cell_length_b   6.96276112
_cell_length_c   6.96276272
_cell_angle_alpha   111.39050863
_cell_angle_beta   113.35626259
_cell_angle_gamma   103.81750903
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce2NiB8Ir
_chemical_formula_sum   'Ce4 Ni2 B16 Ir2'
_cell_volume   257.89313746
_cell_formula_units_Z   2
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
  Ce  Ce0  1  0.79400669  0.79400669  1.00000000  1.0
  Ce  Ce1  1  0.20599331  0.20599331  0.00000000  1.0
  Ce  Ce2  1  0.75381917  0.25381917  0.50000000  1.0
  Ce  Ce3  1  0.24618083  0.74618083  0.50000000  1.0
  Ni  Ni4  1  0.50000000  0.74188918  0.24188918  1.0
  Ni  Ni5  1  0.50000000  0.25811082  0.75811082  1.0
  B  B6  1  0.27201683  0.10839074  0.38040758  1.0
  B  B7  1  0.72798317  0.89160926  0.61959242  1.0
  B  B8  1  0.27201683  0.89160926  0.16362609  1.0
  B  B9  1  0.72798317  0.10839074  0.83637391  1.0
  B  B10  1  0.11092482  0.73126236  0.84218718  1.0
  B  B11  1  0.88907518  0.26873764  0.15781282  1.0
  B  B12  1  0.11092482  0.26873764  0.37966145  1.0
  B  B13  1  0.88907518  0.73126236  0.62033855  1.0
  B  B14  1  0.11556754  0.10980963  0.52946236  1.0
  B  B15  1  0.58034727  0.58610519  0.47053764  1.0
  B  B16  1  0.11556754  0.58610519  0.00575791  1.0
  B  B17  1  0.58034727  0.10980963  0.99424209  1.0
  B  B18  1  0.88443246  0.89019037  0.47053764  1.0
  B  B19  1  0.41965273  0.41389481  0.52946236  1.0
  B  B20  1  0.88443246  0.41389481  0.99424209  1.0
  B  B21  1  0.41965273  0.89019037  0.00575791  1.0
  Ir  Ir22  1  0.27748493  0.50000000  0.77748493  1.0
  Ir  Ir23  1  0.72251507  0.50000000  0.22251507  1.0