data_[Li2Al1Ni1O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0350]
_cell_length_b [2.8116]
_cell_length_c [5.1258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2AlNiO4]
_chemical_formula_sum '[Li2 Al1 Ni1 O4]'
_cell_volume [67.7442]
_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  0.0000  0.5000  0.5000  1.0
  Li  Li1  1  0.5000  0.0000  0.5000  1.0
  Al  Al2  1  0.5000  0.5000  0.0000  1.0
  Ni  Ni3  1  0.0000  0.0000  0.0000  1.0
  O  O4  2  0.2444  0.5000  0.2117  1.0
  O  O5  2  0.2770  0.0000  0.7713  1.0
]