# generated using pymatgen
data_Sm4PBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08641596
_cell_length_b   13.34574587
_cell_length_c   14.10794936
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4PBr6
_chemical_formula_sum   'Sm8 P2 Br12'
_cell_volume   769.39492020
_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  0.50000000  0.11780487  0.34211198  1.0
  Sm  Sm1  1  0.50000000  0.88219513  0.65788802  1.0
  Sm  Sm2  1  0.50000000  0.61780487  0.15788802  1.0
  Sm  Sm3  1  0.50000000  0.38219513  0.84211198  1.0
  Sm  Sm4  1  0.00000000  0.11602918  0.57739689  1.0
  Sm  Sm5  1  0.00000000  0.88397082  0.42260311  1.0
  Sm  Sm6  1  0.00000000  0.61602918  0.92260311  1.0
  Sm  Sm7  1  0.00000000  0.38397082  0.07739689  1.0
  P  P8  1  0.50000000  0.00000000  0.50000000  1.0
  P  P9  1  0.50000000  0.50000000  0.00000000  1.0
  Br  Br10  1  0.50000000  0.24417314  0.16485012  1.0
  Br  Br11  1  0.50000000  0.75582686  0.83514988  1.0
  Br  Br12  1  0.50000000  0.74417314  0.33514988  1.0
  Br  Br13  1  0.50000000  0.25582686  0.66485012  1.0
  Br  Br14  1  0.00000000  0.25658223  0.41299486  1.0
  Br  Br15  1  0.00000000  0.74341777  0.58700514  1.0
  Br  Br16  1  0.00000000  0.75658223  0.08700514  1.0
  Br  Br17  1  0.00000000  0.24341777  0.91299486  1.0
  Br  Br18  1  0.00000000  0.00000889  0.24221151  1.0
  Br  Br19  1  0.00000000  0.99999111  0.75778849  1.0
  Br  Br20  1  0.00000000  0.50000889  0.25778849  1.0
  Br  Br21  1  0.00000000  0.49999111  0.74221151  1.0