data_[Sm4Ag4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [21.8298]
_cell_length_b [5.8138]
_cell_length_c [8.2864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmAgBr4]
_chemical_formula_sum '[Sm4 Ag4 Br16]'
_cell_volume [1007.2444]
_cell_formula_units_Z [4]
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  4  0.1781  0.0000  0.0767  1.0
  Ag  Ag1  4  0.1742  0.0000  0.5096  1.0
  Br  Br2  4  0.0783  0.0000  0.2104  1.0
  Br  Br3  4  0.1088  0.0000  0.7392  1.0
  Br  Br4  4  0.2015  0.5000  0.0620  1.0
  Br  Br5  4  0.2207  0.5000  0.6102  1.0
]