data_[Sm2Ag4Br12]
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 [13.5614]
_cell_length_b [4.9896]
_cell_length_c [9.6014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(AgBr3)2]
_chemical_formula_sum '[Sm2 Ag4 Br12]'
_cell_volume [619.5237]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  4  0.1945  0.0000  0.1385  1.0
  Br  Br2  4  0.0205  0.0000  0.2197  1.0
  Br  Br3  4  0.1367  0.5000  0.5755  1.0
  Br  Br4  4  0.2026  0.5000  0.0784  1.0
]