data_[La4Ga36Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [10.4758]
_cell_length_b [10.4758]
_cell_length_c [7.5173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [LaGa9Ni2]
_chemical_formula_sum '[La4 Ga36 Ni8]'
_cell_volume [824.9670]
_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
[
  La  La0  4  0.0000  0.0000  0.5000  1
  Ga  Ga1  32  0.1242  0.1985  0.8090  1
  Ga  Ga2  4  0.0000  0.0000  0.0000  1
  Ni  Ni3  8  0.0000  0.2500  0.1250  1
]