# generated using pymatgen
data_Ca2Yb(B3Ir4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86645451
_cell_length_b   9.01562691
_cell_length_c   5.60169484
_cell_angle_alpha   81.27968612
_cell_angle_beta   64.58230067
_cell_angle_gamma   34.13801638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Yb(B3Ir4)2
_chemical_formula_sum   'Ca2 Yb1 B6 Ir8'
_cell_volume   231.28245661
_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  0.32211270  0.32211270  0.67788730  1.0
  Ca  Ca1  1  0.67788730  0.67788730  0.32211270  1.0
  Yb  Yb2  1  0.50000000  0.50000000  0.50000000  1.0
  B  B3  1  0.67081582  0.98366958  0.01633042  1.0
  B  B4  1  0.98366958  0.67081582  0.32918418  1.0
  B  B5  1  0.32918418  0.01633042  0.98366958  1.0
  B  B6  1  0.01633042  0.32918418  0.67081582  1.0
  B  B7  1  0.16833064  0.83166936  0.16833064  1.0
  B  B8  1  0.83166936  0.16833064  0.83166936  1.0
  Ir  Ir9  1  0.58467570  0.58467570  0.91532430  1.0
  Ir  Ir10  1  0.91463705  0.91463705  0.08536295  1.0
  Ir  Ir11  1  0.41532430  0.41532430  0.08467570  1.0
  Ir  Ir12  1  0.08467570  0.08467570  0.41532430  1.0
  Ir  Ir13  1  0.91532430  0.91532430  0.58467570  1.0
  Ir  Ir14  1  0.25000000  0.25000000  0.25000000  1.0
  Ir  Ir15  1  0.08536295  0.08536295  0.91463705  1.0
  Ir  Ir16  1  0.75000000  0.75000000  0.75000000  1.0