data_[La4Ga8Ni12]
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 [Cmcm]
_cell_length_a [9.6208]
_cell_length_b [7.8647]
_cell_length_c [5.2189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaGa2Ni3]
_chemical_formula_sum '[La4 Ga8 Ni12]'
_cell_volume [394.8911]
_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  0.3071  0.2500  1.0
  Ga  Ga1  8  0.2167  0.0000  0.0000  1.0
  Ni  Ni2  8  0.1760  0.2752  0.7500  1.0
  Ni  Ni3  4  0.0000  0.0563  0.7500  1.0
]