data_[Na2Y4Er6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  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 [17.8654]
_cell_length_b [4.0625]
_cell_length_c [8.2015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaY2(ErSe2)3]
_chemical_formula_sum '[Na2 Y4 Er6 Se12]'
_cell_volume [578.6162]
_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  0.0000  0.5000  0.0000  1.0
  Y  Y1  4  0.1703  0.0000  0.3433  1.0
  Er  Er2  4  0.1657  0.0000  0.8272  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0009  0.0000  0.2553  1.0
  Se  Se5  4  0.1637  0.5000  0.5865  1.0
  Se  Se6  4  0.1686  0.5000  0.0808  1.0
]