# generated using pymatgen
data_CaY2(B3Ir4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93125896
_cell_length_b   9.09273366
_cell_length_c   5.58435486
_cell_angle_alpha   81.37319043
_cell_angle_beta   64.85138666
_cell_angle_gamma   33.77541525
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2(B3Ir4)2
_chemical_formula_sum   'Ca1 Y2 B6 Ir8'
_cell_volume   232.15661663
_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  0.68069877  0.68069877  0.31930123  1.0
  Y  Y1  1  0.32167023  0.32167023  0.67832977  1.0
  Y  Y2  1  0.50296135  0.50296135  0.49703865  1.0
  B  B3  1  0.67057126  0.98184230  0.01815770  1.0
  B  B4  1  0.98184230  0.67057126  0.32942874  1.0
  B  B5  1  0.32711744  0.01813780  0.98186220  1.0
  B  B6  1  0.01813780  0.32711744  0.67288256  1.0
  B  B7  1  0.16790714  0.83188865  0.16811135  1.0
  B  B8  1  0.83188865  0.16790714  0.83209286  1.0
  Ir  Ir9  1  0.58572727  0.58572727  0.91427273  1.0
  Ir  Ir10  1  0.91238991  0.91238991  0.08761009  1.0
  Ir  Ir11  1  0.41449975  0.41449975  0.08550025  1.0
  Ir  Ir12  1  0.08572727  0.08572727  0.41427273  1.0
  Ir  Ir13  1  0.91449975  0.91449975  0.58550025  1.0
  Ir  Ir14  1  0.24947140  0.24947140  0.25052860  1.0
  Ir  Ir15  1  0.08541731  0.08541731  0.91458269  1.0
  Ir  Ir16  1  0.74947140  0.74947140  0.75052860  1.0