# generated using pymatgen
data_La11Nd(IrBr3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.59942104
_cell_length_b   10.57924665
_cell_length_c   10.59942074
_cell_angle_alpha   108.85454945
_cell_angle_beta   110.55786861
_cell_angle_gamma   108.85455012
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La11Nd(IrBr3)4
_chemical_formula_sum   'La11 Nd1 Ir4 Br12'
_cell_volume   916.39859528
_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
  La  La0  1  0.48203394  0.75000000  0.01796606  1.0
  La  La1  1  0.23731177  0.47081022  0.48443895  1.0
  La  La2  1  0.01556105  0.02918978  0.26268823  1.0
  La  La3  1  0.22863773  0.25818362  0.73963035  1.0
  La  La4  1  0.01958060  0.48660891  0.75788520  1.0
  La  La5  1  0.48494177  0.23581130  0.46888422  1.0
  La  La6  1  0.27068999  0.01578939  0.03466357  1.0
  La  La7  1  0.76036965  0.24181638  0.27136227  1.0
  La  La8  1  0.74211480  0.01339109  0.48041940  1.0
  La  La9  1  0.46533643  0.48421061  0.22931001  1.0
  La  La10  1  0.03111578  0.26418870  0.01505823  1.0
  Nd  Nd11  1  0.26476109  0.75000000  0.23523891  1.0
  Ir  Ir12  1  0.50111057  0.00256175  0.25190401  1.0
  Ir  Ir13  1  0.24809599  0.49743825  0.99888943  1.0
  Ir  Ir14  1  0.00090563  0.25000000  0.49909437  1.0
  Ir  Ir15  1  0.24963786  0.25000000  0.25036214  1.0
  Br  Br16  1  0.25063452  0.98895751  0.50211069  1.0
  Br  Br17  1  0.51188494  0.50454933  0.75757103  1.0
  Br  Br18  1  0.24763494  0.75549356  0.74448772  1.0
  Br  Br19  1  0.99079660  0.74454905  0.99839998  1.0
  Br  Br20  1  0.99788931  0.51104249  0.24936548  1.0
  Br  Br21  1  0.74242897  0.99545067  0.98811506  1.0
  Br  Br22  1  0.75551228  0.74450644  0.25236506  1.0
  Br  Br23  1  0.50160002  0.75545095  0.50920340  1.0
  Br  Br24  1  0.50607790  0.25000000  0.99392210  1.0
  Br  Br25  1  0.75622907  0.51182426  0.50658735  1.0
  Br  Br26  1  0.74369415  0.25000000  0.75630585  1.0
  Br  Br27  1  0.99341265  0.98817574  0.74377093  1.0