# generated using pymatgen
data_La12Fe(AuI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.06336667
_cell_length_b   11.06336633
_cell_length_c   11.06336630
_cell_angle_alpha   109.26937514
_cell_angle_beta   109.26937594
_cell_angle_gamma   109.26936915
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La12Fe(AuI4)3
_chemical_formula_sum   'La12 Fe1 Au3 I12'
_cell_volume   1050.13134995
_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  0.45739315  0.46990271  0.23785032  1.0
  La  La1  1  0.75000000  0.23567787  0.26432213  1.0
  La  La2  1  0.75000000  0.01642517  0.48357483  1.0
  La  La3  1  0.23785032  0.45739315  0.46990271  1.0
  La  La4  1  0.26432213  0.75000000  0.23567787  1.0
  La  La5  1  0.04260685  0.26214968  0.03009729  1.0
  La  La6  1  0.03009729  0.04260685  0.26214968  1.0
  La  La7  1  0.48357483  0.75000000  0.01642517  1.0
  La  La8  1  0.46990271  0.23785032  0.45739315  1.0
  La  La9  1  0.01642517  0.48357483  0.75000000  1.0
  La  La10  1  0.26214968  0.03009729  0.04260685  1.0
  La  La11  1  0.23567787  0.26432213  0.75000000  1.0
  Fe  Fe12  1  0.25000000  0.25000000  0.25000000  1.0
  Au  Au13  1  0.50017712  0.99982288  0.25000000  1.0
  Au  Au14  1  0.99982288  0.25000000  0.50017712  1.0
  Au  Au15  1  0.25000000  0.50017712  0.99982288  1.0
  I  I16  1  0.25000000  0.75707375  0.74292625  1.0
  I  I17  1  0.51806347  0.50885234  0.75920486  1.0
  I  I18  1  0.98193653  0.74079514  0.99114766  1.0
  I  I19  1  0.74292625  0.25000000  0.75707375  1.0
  I  I20  1  0.99114766  0.98193653  0.74079514  1.0
  I  I21  1  0.25000000  0.99124380  0.50875620  1.0
  I  I22  1  0.75920486  0.51806347  0.50885234  1.0
  I  I23  1  0.50875620  0.25000000  0.99124380  1.0
  I  I24  1  0.75707375  0.74292625  0.25000000  1.0
  I  I25  1  0.74079514  0.99114766  0.98193653  1.0
  I  I26  1  0.99124380  0.50875620  0.25000000  1.0
  I  I27  1  0.50885234  0.75920486  0.51806347  1.0