data_[Li1Ce2Zn7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1996]
_cell_length_b [4.1996]
_cell_length_c [10.8307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [LiCe2Zn7]
_chemical_formula_sum '[Li1 Ce2 Zn7]'
_cell_volume [191.0199]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.2603  1.0
  Zn  Zn2  2  0.0000  0.5000  0.6321  1.0
  Zn  Zn3  2  0.0000  0.5000  0.8618  1.0
  Zn  Zn4  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn5  1  0.0000  0.0000  0.5000  1.0
  Zn  Zn6  1  0.5000  0.5000  0.5000  1.0
]