# generated using pymatgen
data_CaY3(B4Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01443497
_cell_length_b   7.01443491
_cell_length_c   7.01443590
_cell_angle_alpha   111.54659470
_cell_angle_beta   111.54658572
_cell_angle_gamma   105.39574468
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY3(B4Ir)4
_chemical_formula_sum   'Ca1 Y3 B16 Ir4'
_cell_volume   264.67961513
_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  0.78662232  0.78662232  0.00000000  1.0
  Y  Y1  1  0.21358544  0.21358544  1.00000000  1.0
  Y  Y2  1  0.75015763  0.25015763  0.50000000  1.0
  Y  Y3  1  0.25015763  0.75015763  0.50000000  1.0
  B  B4  1  0.26517081  0.10890182  0.37143030  1.0
  B  B5  1  0.73747052  0.89373951  0.62856970  1.0
  B  B6  1  0.26517081  0.89373951  0.15626899  1.0
  B  B7  1  0.73747052  0.10890182  0.84373101  1.0
  B  B8  1  0.10890182  0.73747052  0.84373101  1.0
  B  B9  1  0.89373951  0.26517081  0.15626899  1.0
  B  B10  1  0.10890182  0.26517081  0.37143030  1.0
  B  B11  1  0.89373951  0.73747052  0.62856970  1.0
  B  B12  1  0.11073397  0.11073397  0.52372322  1.0
  B  B13  1  0.58701274  0.58701274  0.47627678  1.0
  B  B14  1  0.11073397  0.58701274  1.00000000  1.0
  B  B15  1  0.58701274  0.11073397  0.00000000  1.0
  B  B16  1  0.88638371  0.88638371  0.47087269  1.0
  B  B17  1  0.41551102  0.41551102  0.52912731  1.0
  B  B18  1  0.88638371  0.41551102  0.00000000  1.0
  B  B19  1  0.41551102  0.88638371  1.00000000  1.0
  Ir  Ir20  1  0.25743247  0.49740719  0.76002528  1.0
  Ir  Ir21  1  0.73738191  0.49740719  0.23997472  1.0
  Ir  Ir22  1  0.49740719  0.73738191  0.23997472  1.0
  Ir  Ir23  1  0.49740719  0.25743247  0.76002528  1.0