data_[Na4Sm4Sb4Se12]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2925]
_cell_length_b [14.8028]
_cell_length_c [10.6108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaSmSbSe3]
_chemical_formula_sum '[Na4 Sm4 Sb4 Se12]'
_cell_volume [674.2241]
_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
[
  Na  Na0  4  0.0000  0.2552  0.7500  1
  Sm  Sm1  4  0.0000  0.5000  0.0000  1
  Sb  Sb2  4  0.0000  0.0315  0.2500  1
  Se  Se3  8  0.0000  0.1384  0.0438  1
  Se  Se4  4  0.0000  0.3832  0.2500  1
]