# generated using pymatgen
data_La12Ir(PtBr4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.66056862
_cell_length_b   10.66056796
_cell_length_c   10.66056878
_cell_angle_alpha   109.40967547
_cell_angle_beta   109.40967367
_cell_angle_gamma   109.40967535
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La12Ir(PtBr4)3
_chemical_formula_sum   'La12 Ir1 Pt3 Br12'
_cell_volume   934.77025021
_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  0.26544577  0.75000000  0.23455423  1.0
  La  La1  1  0.48630067  0.75000000  0.01369933  1.0
  La  La2  1  0.23727910  0.47071386  0.48158799  1.0
  La  La3  1  0.01841201  0.02928614  0.26272090  1.0
  La  La4  1  0.23455423  0.26544577  0.75000000  1.0
  La  La5  1  0.01369933  0.48630067  0.75000000  1.0
  La  La6  1  0.48158799  0.23727910  0.47071386  1.0
  La  La7  1  0.26272090  0.01841201  0.02928614  1.0
  La  La8  1  0.75000000  0.23455423  0.26544577  1.0
  La  La9  1  0.75000000  0.01369933  0.48630067  1.0
  La  La10  1  0.47071386  0.48158799  0.23727910  1.0
  La  La11  1  0.02928614  0.26272090  0.01841201  1.0
  Ir  Ir12  1  0.25000000  0.25000000  0.25000000  1.0
  Pt  Pt13  1  0.50018449  0.99981551  0.25000000  1.0
  Pt  Pt14  1  0.25000000  0.50018449  0.99981551  1.0
  Pt  Pt15  1  0.99981551  0.25000000  0.50018449  1.0
  Br  Br16  1  0.25000000  0.99430902  0.50569098  1.0
  Br  Br17  1  0.51015529  0.50619090  0.75558464  1.0
  Br  Br18  1  0.25000000  0.75427335  0.74572665  1.0
  Br  Br19  1  0.98984471  0.74441536  0.99380910  1.0
  Br  Br20  1  0.99430902  0.50569098  0.25000000  1.0
  Br  Br21  1  0.74441536  0.99380910  0.98984471  1.0
  Br  Br22  1  0.75427335  0.74572665  0.25000000  1.0
  Br  Br23  1  0.50619090  0.75558464  0.51015529  1.0
  Br  Br24  1  0.50569098  0.25000000  0.99430902  1.0
  Br  Br25  1  0.75558464  0.51015529  0.50619090  1.0
  Br  Br26  1  0.74572665  0.25000000  0.75427335  1.0
  Br  Br27  1  0.99380910  0.98984471  0.74441536  1.0