data_[Sm4Y4B2Br2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5480]
_cell_length_b [3.9018]
_cell_length_c [8.1464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Y2BBrCl4]
_chemical_formula_sum '[Sm4 Y4 B2 Br2 Cl8]'
_cell_volume [539.7346]
_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  4  0.1495  0.5000  0.5870  1
  Y  Y1  4  0.0005  0.0000  0.2910  1
  B  B2  2  0.0000  0.5000  0.5000  1
  Br  Br3  2  0.0000  0.5000  0.0000  1
  Cl  Cl4  4  0.1631  0.0000  0.8371  1
  Cl  Cl5  4  0.1682  0.0000  0.3454  1
]