# generated using pymatgen
data_CaYb(BIr)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99500870
_cell_length_b   7.56988835
_cell_length_c   7.56988835
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb(BIr)8
_chemical_formula_sum   'Ca1 Yb1 B8 Ir8'
_cell_volume   228.92682077
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.25000000  0.25000000  0.25000000  1.0
  Yb  Yb1  1  0.75000000  0.75000000  0.75000000  1.0
  B  B2  1  0.36015421  0.90652508  0.02797803  1.0
  B  B3  1  0.36015421  0.59347492  0.47202197  1.0
  B  B4  1  0.85993246  0.53046689  0.09219233  1.0
  B  B5  1  0.85993246  0.96953311  0.40780767  1.0
  B  B6  1  0.64006754  0.09219233  0.96953311  1.0
  B  B7  1  0.64006754  0.40780767  0.53046689  1.0
  B  B8  1  0.13984579  0.47202197  0.90652508  1.0
  B  B9  1  0.13984579  0.02797803  0.59347492  1.0
  Ir  Ir10  1  0.13986967  0.40457042  0.63758777  1.0
  Ir  Ir11  1  0.13986967  0.09542958  0.86241223  1.0
  Ir  Ir12  1  0.64058223  0.13668492  0.59732039  1.0
  Ir  Ir13  1  0.64058223  0.36331508  0.90267961  1.0
  Ir  Ir14  1  0.85941777  0.59732039  0.36331508  1.0
  Ir  Ir15  1  0.85941777  0.90267961  0.13668492  1.0
  Ir  Ir16  1  0.36013033  0.86241223  0.40457042  1.0
  Ir  Ir17  1  0.36013033  0.63758777  0.09542958  1.0