data_[Na6Sm4Hf2Se12]
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
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0803]
_cell_length_b [12.2630]
_cell_length_c [7.4431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Sm2HfSe6]
_chemical_formula_sum '[Na6 Sm4 Hf2 Se12]'
_cell_volume [612.4039]
_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  0.1704  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3337  0.0000  1.0
  Hf  Hf3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2333  0.1561  0.2309  1.0
  Se  Se5  4  0.2342  0.0000  0.7704  1.0
]