data_[Sm2Br8]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3855]
_cell_length_b [7.7168]
_cell_length_c [7.9719]
_cell_angle_alpha [72.5770]
_cell_angle_beta [74.8803]
_cell_angle_gamma [63.1486]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SmBr4]
_chemical_formula_sum '[Sm2 Br8]'
_cell_volume [382.5221]
_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  0.3354  0.8192  0.9978  1
  Br  Br1  2  0.0512  0.1030  0.7615  1
  Br  Br2  2  0.1545  0.5198  0.9104  1
  Br  Br3  2  0.4057  0.9866  0.2377  1
  Br  Br4  2  0.4598  0.4397  0.2630  1
]