# generated using pymatgen
data_La12Bi(AuI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.20566949
_cell_length_b   11.20566960
_cell_length_c   11.20566894
_cell_angle_alpha   109.72787030
_cell_angle_beta   109.72787121
_cell_angle_gamma   109.72787901
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La12Bi(AuI4)3
_chemical_formula_sum   'La12 Bi1 Au3 I12'
_cell_volume   1072.74135403
_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  0.48151788  0.49726538  0.23317090  1.0
  La  La1  1  0.75000000  0.23090280  0.26909720  1.0
  La  La2  1  0.75000000  0.01605042  0.48394958  1.0
  La  La3  1  0.23317090  0.48151788  0.49726538  1.0
  La  La4  1  0.26909720  0.75000000  0.23090280  1.0
  La  La5  1  0.01848212  0.26682910  0.00273462  1.0
  La  La6  1  0.00273462  0.01848212  0.26682910  1.0
  La  La7  1  0.48394958  0.75000000  0.01605042  1.0
  La  La8  1  0.49726538  0.23317090  0.48151788  1.0
  La  La9  1  0.01605042  0.48394958  0.75000000  1.0
  La  La10  1  0.26682910  0.00273462  0.01848212  1.0
  La  La11  1  0.23090280  0.26909720  0.75000000  1.0
  Bi  Bi12  1  0.25000000  0.25000000  0.25000000  1.0
  Au  Au13  1  0.49820103  0.00179897  0.25000000  1.0
  Au  Au14  1  0.00179897  0.25000000  0.49820103  1.0
  Au  Au15  1  0.25000000  0.49820103  0.00179897  1.0
  I  I16  1  0.25000000  0.75973536  0.74026464  1.0
  I  I17  1  0.51532627  0.50743366  0.75625199  1.0
  I  I18  1  0.98467373  0.74374801  0.99256634  1.0
  I  I19  1  0.74026464  0.25000000  0.75973536  1.0
  I  I20  1  0.99256634  0.98467373  0.74374801  1.0
  I  I21  1  0.25000000  0.99212982  0.50787018  1.0
  I  I22  1  0.75625199  0.51532627  0.50743366  1.0
  I  I23  1  0.50787018  0.25000000  0.99212982  1.0
  I  I24  1  0.75973536  0.74026464  0.25000000  1.0
  I  I25  1  0.74374801  0.99256634  0.98467373  1.0
  I  I26  1  0.99212982  0.50787018  0.25000000  1.0
  I  I27  1  0.50743366  0.75625199  0.51532627  1.0