data_[Na4Sm6Dy2Se12]
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
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2146]
_cell_length_b [12.4490]
_cell_length_c [7.2674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Sm3DySe6]
_chemical_formula_sum '[Na4 Sm6 Dy2 Se12]'
_cell_volume [616.9978]
_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  4  0.0000  0.3342  0.0000  1.0
  Sm  Sm1  4  0.0000  0.1703  0.5000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2455  0.1634  0.2467  1.0
  Se  Se5  4  0.2421  0.0000  0.7486  1.0
]