data_[Ba2Sm2Ag4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.2607]
_cell_length_b [7.2607]
_cell_length_c [15.0678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [BaSm(AgBr4)2]
_chemical_formula_sum '[Ba2 Sm2 Ag4 Br16]'
_cell_volume [794.3519]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.7500  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  2  0.0000  0.5000  0.2500  1.0
  Br  Br4  8  0.1491  0.7899  0.1629  1.0
  Br  Br5  8  0.1820  0.2872  0.5683  1.0
]