data_[Na2Gd2Zn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Gd  1.2000  1.8000  1.0750
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2777]
_cell_length_b [4.0979]
_cell_length_c [9.8510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaGdZnSe3]
_chemical_formula_sum '[Na2 Gd2 Zn2 Se6]'
_cell_volume [323.5733]
_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  0.2858  0.7500  0.2695  1
  Gd  Gd1  2  0.1809  0.2500  0.6431  1
  Zn  Zn2  2  0.4187  0.7500  0.8976  1
  Se  Se3  2  0.0593  0.2500  0.3439  1
  Se  Se4  2  0.2751  0.2500  0.9626  1
  Se  Se5  2  0.4298  0.7500  0.6512  1
]