data_[Na6Sm3Ag3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4193]
_cell_length_b [7.4193]
_cell_length_c [19.9633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2SmAgBr6]
_chemical_formula_sum '[Na6 Sm3 Ag3 Br18]'
_cell_volume [951.6685]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.0000  0.0138  1.0
  Na  Na1  3  0.0000  0.0000  0.5212  1.0
  Sm  Sm2  3  0.0000  0.0000  0.3235  1.0
  Ag  Ag3  3  0.0000  0.0000  0.8124  1.0
  Br  Br4  9  0.0110  0.7016  0.4151  1.0
  Br  Br5  9  0.0111  0.3706  0.5815  1.0
]