data_[Li5Zn4Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0976]
_cell_length_b [2.6167]
_cell_length_c [8.7551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li5(Zn2Ni)2]
_chemical_formula_sum '[Li5 Zn4 Ni2]'
_cell_volume [162.3184]
_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  2  0.1585  0.0000  0.1467  1.0
  Li  Li1  2  0.4457  0.0000  0.6601  1.0
  Li  Li2  1  0.5000  0.0000  0.0000  1.0
  Zn  Zn3  2  0.1950  0.5000  0.8633  1.0
  Zn  Zn4  2  0.2227  0.5000  0.4253  1.0
  Ni  Ni5  2  0.0784  0.0000  0.6375  1.0
]