# generated using pymatgen
data_CaNd2(B3Ir4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95784225
_cell_length_b   9.09316092
_cell_length_c   5.65184317
_cell_angle_alpha   81.34356350
_cell_angle_beta   64.52374519
_cell_angle_gamma   34.13270523
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNd2(B3Ir4)2
_chemical_formula_sum   'Ca1 Nd2 B6 Ir8'
_cell_volume   236.93673711
_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  0.68252065  0.68252065  0.31747935  1.0
  Nd  Nd1  1  0.32021327  0.32021327  0.67978673  1.0
  Nd  Nd2  1  0.50318775  0.50318775  0.49681225  1.0
  B  B3  1  0.66814935  0.98551686  0.01448314  1.0
  B  B4  1  0.98551686  0.66814935  0.33185065  1.0
  B  B5  1  0.32898078  0.01419771  0.98580229  1.0
  B  B6  1  0.01419771  0.32898078  0.67101922  1.0
  B  B7  1  0.16682074  0.83298246  0.16701754  1.0
  B  B8  1  0.83298246  0.16682074  0.83317926  1.0
  Ir  Ir9  1  0.58570958  0.58570958  0.91429042  1.0
  Ir  Ir10  1  0.91186375  0.91186375  0.08813625  1.0
  Ir  Ir11  1  0.41457490  0.41457490  0.08542510  1.0
  Ir  Ir12  1  0.08570958  0.08570958  0.41429042  1.0
  Ir  Ir13  1  0.91457490  0.91457490  0.58542510  1.0
  Ir  Ir14  1  0.24881070  0.24881070  0.25118930  1.0
  Ir  Ir15  1  0.08737832  0.08737832  0.91262168  1.0
  Ir  Ir16  1  0.74881070  0.74881070  0.75118930  1.0