data_[Na2Nd4Sm6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  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 [18.4128]
_cell_length_b [4.1930]
_cell_length_c [8.4157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaNd2(SmSe2)3]
_chemical_formula_sum '[Na2 Nd4 Sm6 Se12]'
_cell_volume [631.2800]
_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
  Nd  Nd1  4  0.1699  0.0000  0.3398  1.0
  Sm  Sm2  4  0.1670  0.0000  0.8304  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0001  0.0000  0.2524  1.0
  Se  Se5  4  0.1633  0.5000  0.5867  1.0
  Se  Se6  4  0.1667  0.5000  0.0792  1.0
]