data_[Na2Nd4Sn6Se12]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7447]
_cell_length_b [4.3819]
_cell_length_c [8.5196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaNd2(SnSe2)3]
_chemical_formula_sum '[Na2 Nd4 Sn6 Se12]'
_cell_volume [678.2734]
_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
  Nd  Nd1  4  0.1655  0.0000  0.3288  1
  Sn  Sn2  4  0.1593  0.0000  0.8553  1
  Sn  Sn3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0047  0.0000  0.2535  1
  Se  Se5  4  0.1685  0.5000  0.5737  1
  Se  Se6  4  0.1714  0.5000  0.0870  1
]