data_[Pr4Sm4B2I2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  B  2.0400  0.8500  0.4100
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4239]
_cell_length_b [4.1019]
_cell_length_c [8.9792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm2BIBr4]
_chemical_formula_sum '[Pr4 Sm4 B2 I2 Br8]'
_cell_volume [660.5170]
_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
[
  Pr  Pr0  4  0.0010  0.0000  0.7973  1
  Sm  Sm1  4  0.1438  0.5000  0.0736  1
  B  B2  2  0.0000  0.5000  0.0000  1
  I  I3  2  0.0000  0.5000  0.5000  1
  Br  Br4  4  0.1679  0.0000  0.3146  1
  Br  Br5  4  0.1732  0.0000  0.8512  1
]