data_[Rb4Na4Sm4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5210]
_cell_length_b [13.6121]
_cell_length_c [11.0056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbNaSmBr5]
_chemical_formula_sum '[Rb4 Na4 Sm4 Br20]'
_cell_volume [1321.8269]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.0000  0.3400  0.2500  1.0
  Na  Na1  4  0.0000  0.3112  0.7500  1.0
  Sm  Sm2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1042  0.1940  0.5896  1.0
  Br  Br4  8  0.1908  0.4468  0.9360  1.0
  Br  Br5  4  0.0000  0.0705  0.2500  1.0
]