# generated using pymatgen
data_Nd12Ir3PtBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.43567268
_cell_length_b   10.43567192
_cell_length_c   10.39554627
_cell_angle_alpha   109.39335355
_cell_angle_beta   109.39335208
_cell_angle_gamma   109.54897028
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Ir3PtBr12
_chemical_formula_sum   'Nd12 Ir3 Pt1 Br12'
_cell_volume   872.33394846
_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
  Nd  Nd0  1  0.26219131  0.74439411  0.23304162  1.0
  Nd  Nd1  1  0.48220180  0.74439411  0.01135249  1.0
  Nd  Nd2  1  0.23505320  0.47010740  0.48505320  1.0
  Nd  Nd3  1  0.01504230  0.03008561  0.26504230  1.0
  Nd  Nd4  1  0.23505320  0.26494680  0.75000000  1.0
  Nd  Nd5  1  0.01504230  0.48495770  0.75000000  1.0
  Nd  Nd6  1  0.48220180  0.23780869  0.47084831  1.0
  Nd  Nd7  1  0.26219131  0.01779820  0.02915169  1.0
  Nd  Nd8  1  0.75560589  0.23780869  0.26695838  1.0
  Nd  Nd9  1  0.75560589  0.01779820  0.48864751  1.0
  Nd  Nd10  1  0.46991439  0.48495770  0.23495770  1.0
  Nd  Nd11  1  0.02989260  0.26494680  0.01494680  1.0
  Ir  Ir12  1  0.24983193  0.49966387  0.99983193  1.0
  Ir  Ir13  1  0.00033613  0.25016807  0.50016807  1.0
  Ir  Ir14  1  0.24983193  0.25016807  0.25000000  1.0
  Pt  Pt15  1  0.50000000  0.00000000  0.25000000  1.0
  Br  Br16  1  0.25028525  0.99327938  0.50512396  1.0
  Br  Br17  1  0.51365076  0.50682588  0.75682588  1.0
  Br  Br18  1  0.25028525  0.75700687  0.74516229  1.0
  Br  Br19  1  0.98938039  0.74469120  0.99469120  1.0
  Br  Br20  1  0.99317412  0.50682588  0.25000000  1.0
  Br  Br21  1  0.74299313  0.99327938  0.98815342  1.0
  Br  Br22  1  0.75530880  0.74469120  0.25000000  1.0
  Br  Br23  1  0.50672062  0.75700687  0.51184658  1.0
  Br  Br24  1  0.50672062  0.24971475  0.99487604  1.0
  Br  Br25  1  0.75530880  0.51061961  0.50530880  1.0
  Br  Br26  1  0.74299313  0.24971475  0.75483771  1.0
  Br  Br27  1  0.99317412  0.98634924  0.74317412  1.0