data_[Na6La2Er4Se12]
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 [C2/m]
_cell_length_a [7.2811]
_cell_length_b [12.6149]
_cell_length_c [7.4160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3La(ErSe3)2]
_chemical_formula_sum '[Na6 La2 Er4 Se12]'
_cell_volume [643.3510]
_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  0.1651  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  La  La2  2  0.0000  0.0000  0.0000  1.0
  Er  Er3  4  0.0000  0.3330  0.0000  1.0
  Se  Se4  8  0.2495  0.3266  0.7697  1.0
  Se  Se5  4  0.2302  0.5000  0.2313  1.0
]