data_[Sm2Br2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1621]
_cell_length_b [7.4713]
_cell_length_c [7.8780]
_cell_angle_alpha [67.5067]
_cell_angle_beta [68.6074]
_cell_angle_gamma [62.3392]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SmBrCl3]
_chemical_formula_sum '[Sm2 Br2 Cl6]'
_cell_volume [335.8252]
_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  0.3359  0.8237  0.9982  1.0
  Br  Br1  2  0.1636  0.5267  0.9027  1.0
  Cl  Cl2  2  0.0704  0.1127  0.7666  1.0
  Cl  Cl3  2  0.3860  0.9755  0.2334  1.0
  Cl  Cl4  2  0.4325  0.4279  0.2559  1.0
]