data_[Na6Pr2Sm4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  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 [7.3814]
_cell_length_b [12.7850]
_cell_length_c [7.4323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Pr(SmSe3)2]
_chemical_formula_sum '[Na6 Pr2 Sm4 Se12]'
_cell_volume [661.8180]
_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  0.1661  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm3  4  0.0000  0.3332  0.0000  1.0
  Se  Se4  8  0.2474  0.8310  0.2349  1.0
  Se  Se5  4  0.2405  0.5000  0.2354  1.0
]