data_[Na2La4Sm6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5520]
_cell_length_b [4.2196]
_cell_length_c [8.4970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLa2(SmSe2)3]
_chemical_formula_sum '[Na2 La4 Sm6 Se12]'
_cell_volume [644.7824]
_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
[
  Na  Na0  2  0.0000  0.5000  0.0000  1.0
  La  La1  4  0.1672  0.0000  0.3347  1.0
  Sm  Sm2  4  0.1662  0.0000  0.8282  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0017  0.0000  0.7474  1.0
  Se  Se5  4  0.1633  0.5000  0.5875  1.0
  Se  Se6  4  0.1671  0.5000  0.0747  1.0
]