# generated using pymatgen
data_La3Th2Sn3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.68448221
_cell_length_b   9.68448213
_cell_length_c   6.79360959
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000370
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Th2Sn3Br
_chemical_formula_sum   'La6 Th4 Sn6 Br2'
_cell_volume   551.80293832
_cell_formula_units_Z   2
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  0.27070529  0.27070529  0.75000000  1.0
  La  La1  1  0.00000000  0.72929471  0.75000000  1.0
  La  La2  1  0.72929471  0.00000000  0.75000000  1.0
  La  La3  1  0.00000000  0.27070529  0.25000000  1.0
  La  La4  1  0.72929471  0.72929471  0.25000000  1.0
  La  La5  1  0.27070529  0.00000000  0.25000000  1.0
  Th  Th6  1  0.33333300  0.66666700  0.50000000  1.0
  Th  Th7  1  0.66666700  0.33333300  0.50000000  1.0
  Th  Th8  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th9  1  0.66666700  0.33333300  0.00000000  1.0
  Sn  Sn10  1  0.61344034  0.00000000  0.25000000  1.0
  Sn  Sn11  1  0.00000000  0.38655966  0.75000000  1.0
  Sn  Sn12  1  0.38655966  0.00000000  0.75000000  1.0
  Sn  Sn13  1  0.61344034  0.61344034  0.75000000  1.0
  Sn  Sn14  1  0.00000000  0.61344034  0.25000000  1.0
  Sn  Sn15  1  0.38655966  0.38655966  0.25000000  1.0
  Br  Br16  1  0.00000000  0.00000000  0.00000000  1.0
  Br  Br17  1  0.00000000  0.00000000  0.50000000  1.0