# generated using pymatgen
data_Ca(BIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99032204
_cell_length_b   7.59260438
_cell_length_c   7.59260438
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(BIr)4
_chemical_formula_sum   'Ca2 B8 Ir8'
_cell_volume   230.03265386
_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
  Ca  Ca0  1  0.25000000  0.25000000  0.25000000  1.0
  Ca  Ca1  1  0.75000000  0.75000000  0.75000000  1.0
  B  B2  1  0.35991172  0.90718120  0.02926499  1.0
  B  B3  1  0.35991172  0.59281880  0.47073501  1.0
  B  B4  1  0.85991172  0.52926499  0.09281880  1.0
  B  B5  1  0.85991172  0.97073501  0.40718120  1.0
  B  B6  1  0.64008828  0.09281880  0.97073501  1.0
  B  B7  1  0.64008828  0.40718120  0.52926499  1.0
  B  B8  1  0.14008828  0.47073501  0.90718120  1.0
  B  B9  1  0.14008828  0.02926499  0.59281880  1.0
  Ir  Ir10  1  0.14037557  0.40370397  0.63743563  1.0
  Ir  Ir11  1  0.14037557  0.09629603  0.86256437  1.0
  Ir  Ir12  1  0.64037557  0.13743563  0.59629603  1.0
  Ir  Ir13  1  0.64037557  0.36256437  0.90370397  1.0
  Ir  Ir14  1  0.85962443  0.59629603  0.36256437  1.0
  Ir  Ir15  1  0.85962443  0.90370397  0.13743563  1.0
  Ir  Ir16  1  0.35962443  0.86256437  0.40370397  1.0
  Ir  Ir17  1  0.35962443  0.63743563  0.09629603  1.0