data_[La6Ga16Ni6]
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 [Immm]
_cell_length_a [4.3195]
_cell_length_b [9.8968]
_cell_length_c [12.2995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3Ga8Ni3]
_chemical_formula_sum '[La6 Ga16 Ni6]'
_cell_volume [525.7987]
_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  4  0.0000  0.0000  0.1799  1.0
  La  La1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  8  0.0000  0.2862  0.3821  1.0
  Ga  Ga3  8  0.0000  0.3602  0.1643  1.0
  Ni  Ni4  4  0.0000  0.2164  0.0000  1.0
  Ni  Ni5  2  0.0000  0.5000  0.5000  1.0
]