# generated using pymatgen
data_La3SBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.33588167
_cell_length_b   10.33588232
_cell_length_c   10.33588232
_cell_angle_alpha   109.47122062
_cell_angle_beta   109.47122189
_cell_angle_gamma   109.47122087
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3SBr3
_chemical_formula_sum   'La12 S4 Br12'
_cell_volume   850.00355484
_cell_formula_units_Z   4
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  0.26342245  0.75000000  0.23657755  1.0
  La  La1  1  0.48657755  0.75000000  0.01342245  1.0
  La  La2  1  0.23657755  0.47315410  0.48657755  1.0
  La  La3  1  0.01342245  0.02684590  0.26342245  1.0
  La  La4  1  0.23657755  0.26342245  0.75000000  1.0
  La  La5  1  0.01342245  0.48657755  0.75000000  1.0
  La  La6  1  0.48657755  0.23657755  0.47315410  1.0
  La  La7  1  0.26342245  0.01342245  0.02684590  1.0
  La  La8  1  0.75000000  0.23657755  0.26342245  1.0
  La  La9  1  0.75000000  0.01342245  0.48657755  1.0
  La  La10  1  0.47315410  0.48657755  0.23657755  1.0
  La  La11  1  0.02684590  0.26342245  0.01342245  1.0
  S  S12  1  0.50000000  0.00000000  0.25000000  1.0
  S  S13  1  0.25000000  0.50000000  0.00000000  1.0
  S  S14  1  0.00000000  0.25000000  0.50000000  1.0
  S  S15  1  0.25000000  0.25000000  0.25000000  1.0
  Br  Br16  1  0.25000000  0.99043105  0.50956895  1.0
  Br  Br17  1  0.51913689  0.50956895  0.75956895  1.0
  Br  Br18  1  0.25000000  0.75956895  0.74043105  1.0
  Br  Br19  1  0.98086311  0.74043105  0.99043105  1.0
  Br  Br20  1  0.99043105  0.50956895  0.25000000  1.0
  Br  Br21  1  0.74043105  0.99043105  0.98086311  1.0
  Br  Br22  1  0.75956895  0.74043105  0.25000000  1.0
  Br  Br23  1  0.50956895  0.75956895  0.51913689  1.0
  Br  Br24  1  0.50956895  0.25000000  0.99043105  1.0
  Br  Br25  1  0.75956895  0.51913689  0.50956895  1.0
  Br  Br26  1  0.74043105  0.25000000  0.75956895  1.0
  Br  Br27  1  0.99043105  0.98086311  0.74043105  1.0