data_[Li4Zn4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.7659]
_cell_length_b [18.3243]
_cell_length_c [18.4968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2Zn2Se3]
_chemical_formula_sum '[Li4 Zn4 Se6]'
_cell_volume [1615.3637]
_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
[
  Li  Li0  4  0.1912  0.2015  0.4538  1
  Zn  Zn1  4  0.1948  0.4161  0.5392  1
  Se  Se2  4  0.1912  0.3421  0.4416  1
  Se  Se3  2  0.2025  0.5000  0.6307  1
]