data_[Na2La2Er2Se6]
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
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3550]
_cell_length_b [4.1801]
_cell_length_c [9.2516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaLaErSe3]
_chemical_formula_sum '[Na2 La2 Er2 Se6]'
_cell_volume [311.0040]
_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  2  0.0963  0.7500  0.5841  1
  La  La1  2  0.2077  0.7500  0.2304  1
  Er  Er2  2  0.3294  0.2500  0.8464  1
  Se  Se3  2  0.0958  0.7500  0.8774  1
  Se  Se4  2  0.2631  0.2500  0.5008  1
  Se  Se5  2  0.4443  0.2500  0.1651  1
]