data_[Na6La4Y2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7024]
_cell_length_b [4.3056]
_cell_length_c [8.5816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3La2YSe6]
_chemical_formula_sum '[Na6 La4 Y2 Se12]'
_cell_volume [673.6115]
_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  0.1658  0.0000  0.8318  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  La  La2  4  0.1649  0.0000  0.3285  1.0
  Y  Y3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0007  0.0000  0.2310  1.0
  Se  Se5  4  0.1592  0.5000  0.0820  1.0
  Se  Se6  4  0.1690  0.5000  0.5762  1.0
]