# generated using pymatgen
data_CaEr(BIr)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58455745
_cell_length_b   7.58455745
_cell_length_c   3.99012320
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr(BIr)8
_chemical_formula_sum   'Ca1 Er1 B8 Ir8'
_cell_volume   229.53387914
_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  0.50000000  0.50000000  0.50000000  1.0
  Er  Er1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.34266587  0.77891676  0.88993897  1.0
  B  B3  1  0.65733413  0.22108324  0.88993897  1.0
  B  B4  1  0.77891676  0.65733413  0.11006103  1.0
  B  B5  1  0.22108324  0.34266587  0.11006103  1.0
  B  B6  1  0.27859298  0.15709499  0.38872619  1.0
  B  B7  1  0.72140702  0.84290501  0.38872619  1.0
  B  B8  1  0.84290501  0.27859298  0.61127381  1.0
  B  B9  1  0.15709499  0.72140702  0.61127381  1.0
  Ir  Ir10  1  0.38858262  0.15430352  0.88848235  1.0
  Ir  Ir11  1  0.61141738  0.84569648  0.88848235  1.0
  Ir  Ir12  1  0.84569648  0.38858262  0.11151765  1.0
  Ir  Ir13  1  0.15430352  0.61141738  0.11151765  1.0
  Ir  Ir14  1  0.33992886  0.88908842  0.38673474  1.0
  Ir  Ir15  1  0.66007114  0.11091158  0.38673474  1.0
  Ir  Ir16  1  0.88908842  0.66007114  0.61326526  1.0
  Ir  Ir17  1  0.11091158  0.33992886  0.61326526  1.0