data_LiZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   117.07
_cell_angle_beta   117.07
_cell_angle_gamma   117.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZn3
_chemical_formula_sum   'Li1 Zn3'
_cell_volume   58.78
_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  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.81  0.74  0.89  1.0
  Zn  Zn2  1  0.19  0.74  0.89  1.0
  Zn  Zn3  1  0.0  0.53  0.89  1.0

data_LiZn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   117.07
_cell_angle_beta   99.96
_cell_angle_gamma   99.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZn3
_chemical_formula_sum   'Li1 Zn3'
_cell_volume   58.78
_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  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.89  0.07  0.15  1.0
  Zn  Zn2  1  0.89  0.7  0.15  1.0
  Zn  Zn3  1  0.89  0.89  0.36  1.0

Li Zn Zn Zn