# generated using pymatgen
data_Tb2Sm2PBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04718935
_cell_length_b   13.25497136
_cell_length_c   13.95489382
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Sm2PBr6
_chemical_formula_sum   'Tb4 Sm4 P2 Br12'
_cell_volume   748.61556732
_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
  Tb  Tb0  1  0.50000000  0.11677176  0.34327199  1.0
  Tb  Tb1  1  0.50000000  0.88322824  0.65672801  1.0
  Tb  Tb2  1  0.50000000  0.61677176  0.15672801  1.0
  Tb  Tb3  1  0.50000000  0.38322824  0.84327199  1.0
  Sm  Sm4  1  0.00000000  0.11669277  0.57822446  1.0
  Sm  Sm5  1  0.00000000  0.88330723  0.42177554  1.0
  Sm  Sm6  1  0.00000000  0.61669277  0.92177554  1.0
  Sm  Sm7  1  0.00000000  0.38330723  0.07822446  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  0.24129901  0.16689215  1.0
  Br  Br11  1  0.50000000  0.75870099  0.83310785  1.0
  Br  Br12  1  0.50000000  0.74129901  0.33310785  1.0
  Br  Br13  1  0.50000000  0.25870099  0.66689215  1.0
  Br  Br14  1  0.00000000  0.25507222  0.40979298  1.0
  Br  Br15  1  0.00000000  0.74492778  0.59020702  1.0
  Br  Br16  1  0.00000000  0.75507222  0.09020702  1.0
  Br  Br17  1  0.00000000  0.24492778  0.90979298  1.0
  Br  Br18  1  0.00000000  0.00381215  0.24198510  1.0
  Br  Br19  1  0.00000000  0.99618785  0.75801490  1.0
  Br  Br20  1  0.00000000  0.50381215  0.25801490  1.0
  Br  Br21  1  0.00000000  0.49618785  0.74198510  1.0