# generated using pymatgen
data_La5Nd7(IrBr3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.50031712
_cell_length_b   10.53389959
_cell_length_c   10.48644498
_cell_angle_alpha   108.47830564
_cell_angle_beta   110.20200440
_cell_angle_gamma   109.79530680
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Nd7(IrBr3)4
_chemical_formula_sum   'La5 Nd7 Ir4 Br12'
_cell_volume   892.04179070
_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  0.27106240  0.01067037  0.03058965  1.0
  La  La1  1  0.75456668  0.23543080  0.26849782  1.0
  La  La2  1  0.74409419  0.01540468  0.47977452  1.0
  La  La3  1  0.46742122  0.48431293  0.23393741  1.0
  La  La4  1  0.03337374  0.26723365  0.01600917  1.0
  Nd  Nd5  1  0.26734553  0.75393281  0.23870240  1.0
  Nd  Nd6  1  0.48174126  0.74095784  0.01126397  1.0
  Nd  Nd7  1  0.23227886  0.46857062  0.48662903  1.0
  Nd  Nd8  1  0.01744062  0.03085515  0.26228862  1.0
  Nd  Nd9  1  0.23001236  0.26153697  0.74236356  1.0
  Nd  Nd10  1  0.01783130  0.48620717  0.75543462  1.0
  Nd  Nd11  1  0.48174353  0.23958344  0.47097676  1.0
  Ir  Ir12  1  0.50007642  0.00101411  0.24950143  1.0
  Ir  Ir13  1  0.25035730  0.49899658  0.00151707  1.0
  Ir  Ir14  1  0.99701803  0.24875200  0.49801141  1.0
  Ir  Ir15  1  0.24987128  0.25133524  0.24894749  1.0
  Br  Br16  1  0.25062597  0.99655203  0.50583177  1.0
  Br  Br17  1  0.51030773  0.50502517  0.75581035  1.0
  Br  Br18  1  0.25043795  0.75092333  0.74279249  1.0
  Br  Br19  1  0.98861229  0.74233999  0.99818263  1.0
  Br  Br20  1  0.00095502  0.51233992  0.25497129  1.0
  Br  Br21  1  0.74271709  0.98807995  0.98851238  1.0
  Br  Br22  1  0.75711389  0.74697515  0.24652026  1.0
  Br  Br23  1  0.50012376  0.75461654  0.51241501  1.0
  Br  Br24  1  0.50527997  0.25148885  0.99125992  1.0
  Br  Br25  1  0.75727314  0.51092984  0.51252775  1.0
  Br  Br26  1  0.74300001  0.25551976  0.75420500  1.0
  Br  Br27  1  0.99731946  0.99041508  0.74252423  1.0