data_[La8Ga8Ni4]
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 [C2/m]
_cell_length_a [11.8485]
_cell_length_b [3.8460]
_cell_length_c [11.9566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ga2Ni]
_chemical_formula_sum '[La8 Ga8 Ni4]'
_cell_volume [486.5373]
_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  0.0985  0.0000  0.8841  1.0
  La  La1  4  0.2215  0.5000  0.6430  1.0
  Ga  Ga2  4  0.0277  0.0000  0.4086  1.0
  Ga  Ga3  4  0.1180  0.5000  0.1120  1.0
  Ni  Ni4  4  0.0650  0.5000  0.3003  1.0
]