# generated using pymatgen
data_Nd6IrPtBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47418599
_cell_length_b   10.47410463
_cell_length_c   10.40704448
_cell_angle_alpha   109.40268204
_cell_angle_beta   109.40235403
_cell_angle_gamma   109.86461077
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6IrPtBr6
_chemical_formula_sum   'Nd12 Ir2 Pt2 Br12'
_cell_volume   876.10467811
_cell_formula_units_Z   2
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
  Nd  Nd0  1  0.47022469  0.48807975  0.23353731  1.0
  Nd  Nd1  1  0.75460876  0.23674475  0.26646302  1.0
  Nd  Nd2  1  0.75599502  0.01725736  0.48888228  1.0
  Nd  Nd3  1  0.23291534  0.47160937  0.48885065  1.0
  Nd  Nd4  1  0.26326833  0.74539490  0.23352813  1.0
  Nd  Nd5  1  0.02839905  0.26709075  0.01115396  1.0
  Nd  Nd6  1  0.01190119  0.02975273  0.26645382  1.0
  Nd  Nd7  1  0.48273379  0.74399812  0.01111213  1.0
  Nd  Nd8  1  0.48603243  0.23609425  0.47213475  1.0
  Nd  Nd9  1  0.01467491  0.48530460  0.74999467  1.0
  Nd  Nd10  1  0.26392048  0.01398045  0.02790172  1.0
  Nd  Nd11  1  0.23533886  0.26467667  0.74999719  1.0
  Ir  Ir12  1  0.00038766  0.25038129  0.50075410  1.0
  Ir  Ir13  1  0.24961794  0.49961038  0.99925579  1.0
  Pt  Pt14  1  0.24946332  0.25053464  0.24999868  1.0
  Pt  Pt15  1  0.50051979  0.99947548  0.24999354  1.0
  Br  Br16  1  0.25033629  0.75767808  0.74448883  1.0
  Br  Br17  1  0.51320791  0.50582965  0.75541847  1.0
  Br  Br18  1  0.99002701  0.74545696  0.99582347  1.0
  Br  Br19  1  0.74225541  0.24964518  0.75549900  1.0
  Br  Br20  1  0.99420430  0.98684668  0.74456423  1.0
  Br  Br21  1  0.24962836  0.99429393  0.50422494  1.0
  Br  Br22  1  0.75455143  0.50995024  0.50418647  1.0
  Br  Br23  1  0.50567715  0.25034567  0.99574052  1.0
  Br  Br24  1  0.75621367  0.74377881  0.24999333  1.0
  Br  Br25  1  0.74410117  0.99406981  0.98807900  1.0
  Br  Br26  1  0.99383029  0.50619414  0.25002283  1.0
  Br  Br27  1  0.50596645  0.75592237  0.51194717  1.0