# generated using pymatgen
data_Sm3Th2Pb3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54028267
_cell_length_b   9.54028400
_cell_length_c   6.71185676
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000231
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Th2Pb3Br
_chemical_formula_sum   'Sm6 Th4 Pb6 Br2'
_cell_volume   529.04893795
_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
  Sm  Sm0  1  0.72924791  1.00000000  0.75000000  1.0
  Sm  Sm1  1  1.00000000  0.27075209  0.25000000  1.0
  Sm  Sm2  1  0.72924791  0.72924791  0.25000000  1.0
  Sm  Sm3  1  0.27075209  0.00000000  0.25000000  1.0
  Sm  Sm4  1  0.27075209  0.27075209  0.75000000  1.0
  Sm  Sm5  1  0.00000000  0.72924791  0.75000000  1.0
  Th  Th6  1  0.33333300  0.66666700  0.50000000  1.0
  Th  Th7  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th8  1  0.66666700  0.33333300  0.50000000  1.0
  Th  Th9  1  0.66666700  0.33333300  0.00000000  1.0
  Pb  Pb10  1  0.38261417  1.00000000  0.75000000  1.0
  Pb  Pb11  1  0.61738583  0.00000000  0.25000000  1.0
  Pb  Pb12  1  1.00000000  0.61738583  0.25000000  1.0
  Pb  Pb13  1  0.61738583  0.61738583  0.75000000  1.0
  Pb  Pb14  1  0.00000000  0.38261417  0.75000000  1.0
  Pb  Pb15  1  0.38261417  0.38261417  0.25000000  1.0
  Br  Br16  1  0.00000000  0.00000000  0.50000000  1.0
  Br  Br17  1  0.00000000  0.00000000  0.00000000  1.0