data_[Li4La4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6681]
_cell_length_b [3.9786]
_cell_length_c [5.3983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiLaNi]
_chemical_formula_sum '[Li4 La4 Ni4]'
_cell_volume [269.3887]
_cell_formula_units_Z [4]
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  0.0978  0.5000  0.8119  1.0
  La  La1  4  0.1371  0.0000  0.3238  1.0
  Ni  Ni2  4  0.2358  0.0000  0.8559  1.0
]