data_[Li2Zn3Ni7]
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 [P-1]
_cell_length_a [4.3443]
_cell_length_b [4.4712]
_cell_length_c [8.4308]
_cell_angle_alpha [84.5609]
_cell_angle_beta [75.8725]
_cell_angle_gamma [67.2737]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2Zn3Ni7]
_chemical_formula_sum '[Li2 Zn3 Ni7]'
_cell_volume [146.4792]
_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  0.4319  0.6726  0.3910  1
  Zn  Zn1  2  0.1682  0.0098  0.6834  1
  Zn  Zn2  1  0.5000  0.5000  0.0000  1
  Ni  Ni3  2  0.0659  0.5037  0.8470  1
  Ni  Ni4  2  0.1378  0.2936  0.4005  1
  Ni  Ni5  2  0.4287  0.0008  0.1462  1
  Ni  Ni6  1  0.0000  0.0000  0.0000  1
]