# generated using pymatgen
data_Sm3PtBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.34668234
_cell_length_b   10.34668288
_cell_length_c   10.34668264
_cell_angle_alpha   109.47121823
_cell_angle_beta   109.47121929
_cell_angle_gamma   109.47122363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3PtBr3
_chemical_formula_sum   'Sm12 Pt4 Br12'
_cell_volume   852.67100667
_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
  Sm  Sm0  1  0.47022611  0.48511306  0.23511306  1.0
  Sm  Sm1  1  0.75000000  0.23511306  0.26488694  1.0
  Sm  Sm2  1  0.75000000  0.01488694  0.48511306  1.0
  Sm  Sm3  1  0.23511306  0.47022611  0.48511306  1.0
  Sm  Sm4  1  0.26488694  0.75000000  0.23511306  1.0
  Sm  Sm5  1  0.02977389  0.26488694  0.01488694  1.0
  Sm  Sm6  1  0.01488694  0.02977389  0.26488694  1.0
  Sm  Sm7  1  0.48511306  0.75000000  0.01488694  1.0
  Sm  Sm8  1  0.48511306  0.23511306  0.47022611  1.0
  Sm  Sm9  1  0.01488694  0.48511306  0.75000000  1.0
  Sm  Sm10  1  0.26488694  0.01488694  0.02977389  1.0
  Sm  Sm11  1  0.23511306  0.26488694  0.75000000  1.0
  Pt  Pt12  1  0.25000000  0.25000000  0.25000000  1.0
  Pt  Pt13  1  0.50000000  0.00000000  0.25000000  1.0
  Pt  Pt14  1  0.00000000  0.25000000  0.50000000  1.0
  Pt  Pt15  1  0.25000000  0.50000000  0.00000000  1.0
  Br  Br16  1  0.25000000  0.75536302  0.74463698  1.0
  Br  Br17  1  0.51072604  0.50536302  0.75536302  1.0
  Br  Br18  1  0.98927396  0.74463698  0.99463698  1.0
  Br  Br19  1  0.74463698  0.25000000  0.75536302  1.0
  Br  Br20  1  0.99463698  0.98927396  0.74463698  1.0
  Br  Br21  1  0.25000000  0.99463698  0.50536302  1.0
  Br  Br22  1  0.75536302  0.51072604  0.50536302  1.0
  Br  Br23  1  0.50536302  0.25000000  0.99463698  1.0
  Br  Br24  1  0.75536302  0.74463698  0.25000000  1.0
  Br  Br25  1  0.74463698  0.99463698  0.98927396  1.0
  Br  Br26  1  0.99463698  0.50536302  0.25000000  1.0
  Br  Br27  1  0.50536302  0.75536302  0.51072604  1.0