data_[Ac2Sm2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [15.0241]
_cell_length_b [3.9736]
_cell_length_c [19.2666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcSmBr4]
_chemical_formula_sum '[Ac2 Sm2 Br8]'
_cell_volume [1150.2055]
_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
[
  Ac  Ac0  2  0.1464  0.7500  0.4901  1
  Sm  Sm1  2  0.3976  0.2500  0.4947  1
  Br  Br2  2  0.0368  0.2500  0.5890  1
  Br  Br3  2  0.2432  0.2500  0.3893  1
  Br  Br4  2  0.3067  0.7500  0.5874  1
  Br  Br5  2  0.4665  0.7500  0.3969  1
]