# generated using pymatgen
data_Ca(BIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50273049
_cell_length_b   5.50273020
_cell_length_c   6.12854693
_cell_angle_alpha   105.07100061
_cell_angle_beta   105.07100493
_cell_angle_gamma   114.88674631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(BIr)2
_chemical_formula_sum   'Ca2 B4 Ir4'
_cell_volume   147.38562825
_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  0.87500000  0.12500000  0.25000000  1.0
  Ca  Ca1  1  0.12500000  0.87500000  0.75000000  1.0
  B  B2  1  0.55214217  0.44785783  0.25000000  1.0
  B  B3  1  0.80214217  0.19785783  0.75000000  1.0
  B  B4  1  0.19785783  0.80214217  0.25000000  1.0
  B  B5  1  0.44785783  0.55214217  0.75000000  1.0
  Ir  Ir6  1  0.50495159  0.75495159  0.50990417  1.0
  Ir  Ir7  1  0.75495159  0.50495159  0.00990417  1.0
  Ir  Ir8  1  0.49504841  0.24504841  0.49009583  1.0
  Ir  Ir9  1  0.24504841  0.49504841  0.99009583  1.0