data_[Li1Zn3]
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
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.6844]
_cell_length_b [4.2442]
_cell_length_c [5.4807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiZn3]
_chemical_formula_sum '[Li1 Zn3]'
_cell_volume [60.6625]
_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  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  2  0.4618  0.5000  0.7515  1.0
  Zn  Zn2  1  0.0000  0.0000  0.5000  1.0
]