data_[Pr2Sm2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.8605]
_cell_length_b [3.9925]
_cell_length_c [19.1034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrSmBr4]
_chemical_formula_sum '[Pr2 Sm2 Br8]'
_cell_volume [1057.1318]
_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  2  0.1149  0.7500  0.0025  1
  Sm  Sm1  2  0.3560  0.2500  0.0029  1
  Br  Br2  2  0.0409  0.2500  0.1074  1
  Br  Br3  2  0.2058  0.2500  0.9006  1
  Br  Br4  2  0.2901  0.7500  0.1041  1
  Br  Br5  2  0.4588  0.7500  0.9148  1
]