data_[Cs2Sm2Co4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4184]
_cell_length_b [7.7963]
_cell_length_c [10.6776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSm(CoBr4)2]
_chemical_formula_sum '[Cs2 Sm2 Co4 Br16]'
_cell_volume [941.4806]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Co  Co2  4  0.1123  0.5000  0.7949  1.0
  Br  Br3  8  0.0199  0.2534  0.2004  1.0
  Br  Br4  4  0.1862  0.5000  0.6013  1.0
  Br  Br5  4  0.2481  0.5000  0.9901  1.0
]