# generated using pymatgen
data_La12Ge3AsBr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.62748361
_cell_length_b   10.62287351
_cell_length_c   10.62287439
_cell_angle_alpha   109.46242992
_cell_angle_beta   109.48001843
_cell_angle_gamma   109.48000706
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La12Ge3AsBr12
_chemical_formula_sum   'La12 Ge3 As1 Br12'
_cell_volume   923.09300319
_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  0.48050342  0.49136890  0.24024217  1.0
  La  La1  1  0.75000000  0.24147352  0.25852648  1.0
  La  La2  1  0.75000000  0.00855945  0.49144055  1.0
  La  La3  1  0.24144055  0.48288009  0.49144055  1.0
  La  La4  1  0.25973675  0.74887226  0.24024217  1.0
  La  La5  1  0.01949658  0.25975783  0.00863110  1.0
  La  La6  1  0.00852648  0.01705397  0.25852648  1.0
  La  La7  1  0.48913551  0.74887226  0.00863110  1.0
  La  La8  1  0.49147352  0.24147352  0.48294603  1.0
  La  La9  1  0.01086449  0.49136890  0.75112774  1.0
  La  La10  1  0.25855945  0.00855945  0.01711991  1.0
  La  La11  1  0.24026325  0.25975783  0.75112774  1.0
  Ge  Ge12  1  0.25000000  0.24982527  0.25017473  1.0
  Ge  Ge13  1  0.50017473  0.00034846  0.25017473  1.0
  Ge  Ge14  1  0.99982527  0.24982527  0.49965154  1.0
  As  As15  1  0.25000000  0.50000000  0.00000000  1.0
  Br  Br16  1  0.25000000  0.75517452  0.74482548  1.0
  Br  Br17  1  0.51040272  0.50555681  0.75601633  1.0
  Br  Br18  1  0.98959728  0.74398367  0.99444319  1.0
  Br  Br19  1  0.74561261  0.25045952  0.75601633  1.0
  Br  Br20  1  0.99482548  0.98965295  0.74482548  1.0
  Br  Br21  1  0.25000000  0.99472729  0.50527271  1.0
  Br  Br22  1  0.75527271  0.51054441  0.50527271  1.0
  Br  Br23  1  0.50484692  0.25045952  0.99444319  1.0
  Br  Br24  1  0.75438739  0.74398367  0.24954048  1.0
  Br  Br25  1  0.74472729  0.99472729  0.98945559  1.0
  Br  Br26  1  0.99515308  0.50555681  0.24954048  1.0
  Br  Br27  1  0.50517452  0.75517452  0.51034705  1.0