data_[Li2Al2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0583]
_cell_length_b [4.0620]
_cell_length_c [5.7451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LiAlNi2]
_chemical_formula_sum '[Li2 Al2 Ni4]'
_cell_volume [94.7078]
_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  1  0.5000  0.0000  0.5220  1.0
  Li  Li1  1  0.5000  0.5000  0.7718  1.0
  Al  Al2  1  0.0000  0.0000  0.7840  1.0
  Al  Al3  1  0.5000  0.5000  0.2594  1.0
  Ni  Ni4  1  0.0000  0.0000  0.2800  1.0
  Ni  Ni5  1  0.0000  0.5000  0.0213  1.0
  Ni  Ni6  1  0.0000  0.5000  0.5142  1.0
  Ni  Ni7  1  0.5000  0.0000  0.0272  1.0
]