data_[La16Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.5282]
_cell_length_b [10.5282]
_cell_length_c [5.3018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La8Ni]
_chemical_formula_sum '[La16 Ni2]'
_cell_volume [587.6740]
_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
[
  La  La0  8  0.0000  0.3040  0.0000  1
  La  La1  8  0.1671  0.1671  0.5000  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
]