data_[Li4Zn10Cu2Ni4]
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
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [10.3768]
_cell_length_b [10.3768]
_cell_length_c [2.7608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Li2Zn5CuNi2]
_chemical_formula_sum '[Li4 Zn10 Cu2 Ni4]'
_cell_volume [297.2758]
_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  0.1778  0.6778  0.0000  1.0
  Zn  Zn1  8  0.0552  0.1922  0.5000  1.0
  Zn  Zn2  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  4  0.1349  0.3651  0.0000  1.0
]