data_[Na4Dy4Fe4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Dy  1.2200  1.7500  1.1310
  Fe  1.8300  1.4000  0.8525
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1711]
_cell_length_b [4.1776]
_cell_length_c [16.1202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaDyFeSe3]
_chemical_formula_sum '[Na4 Dy4 Fe4 Se12]'
_cell_volume [550.2653]
_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  0.0756  0.2500  0.7848  1
  Dy  Dy1  4  0.2481  0.7500  0.5452  1
  Fe  Fe2  4  0.1228  0.2500  0.3598  1
  Se  Se3  4  0.0061  0.2500  0.5912  1
  Se  Se4  4  0.1245  0.7500  0.9410  1
  Se  Se5  4  0.1919  0.2500  0.2174  1
]