data_[Li4Gd4Zn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Pnma]
_cell_length_a [11.9270]
_cell_length_b [4.0541]
_cell_length_c [11.6840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiGdZnSe3]
_chemical_formula_sum '[Li4 Gd4 Zn4 Se12]'
_cell_volume [564.9512]
_cell_formula_units_Z [4]
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
[
  Li  Li0  4  0.1202  0.2500  0.5123  1
  Gd  Gd1  4  0.0375  0.2500  0.1796  1
  Zn  Zn2  4  0.2395  0.2500  0.7883  1
  Se  Se3  4  0.0665  0.7500  0.3616  1
  Se  Se4  4  0.0925  0.2500  0.9292  1
  Se  Se5  4  0.2156  0.7500  0.6638  1
]