# generated using pymatgen
data_Ca2La(B3Ir4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92605036
_cell_length_b   9.05666571
_cell_length_c   5.65618255
_cell_angle_alpha   81.30448099
_cell_angle_beta   64.41242647
_cell_angle_gamma   34.28310286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2La(B3Ir4)2
_chemical_formula_sum   'Ca2 La1 B6 Ir8'
_cell_volume   236.20919680
_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  0.31675909  0.31675909  0.68324091  1.0
  Ca  Ca1  1  0.68324091  0.68324091  0.31675909  1.0
  La  La2  1  0.50000000  0.50000000  0.50000000  1.0
  B  B3  1  0.66939699  0.98508947  0.01491053  1.0
  B  B4  1  0.98508947  0.66939699  0.33060301  1.0
  B  B5  1  0.33060301  0.01491053  0.98508947  1.0
  B  B6  1  0.01491053  0.33060301  0.66939699  1.0
  B  B7  1  0.16709009  0.83290991  0.16709009  1.0
  B  B8  1  0.83290991  0.16709009  0.83290991  1.0
  Ir  Ir9  1  0.58581000  0.58581000  0.91419000  1.0
  Ir  Ir10  1  0.91208325  0.91208325  0.08791675  1.0
  Ir  Ir11  1  0.41419000  0.41419000  0.08581000  1.0
  Ir  Ir12  1  0.08581000  0.08581000  0.41419000  1.0
  Ir  Ir13  1  0.91419000  0.91419000  0.58581000  1.0
  Ir  Ir14  1  0.25000000  0.25000000  0.25000000  1.0
  Ir  Ir15  1  0.08791675  0.08791675  0.91208325  1.0
  Ir  Ir16  1  0.75000000  0.75000000  0.75000000  1.0