data_[La4Ga20Ni12]
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 [3.9843]
_cell_length_b [12.3565]
_cell_length_c [12.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaGa5Ni3]
_chemical_formula_sum '[La4 Ga20 Ni12]'
_cell_volume [607.9339]
_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  0.1739  0.2500  1
  Ga  Ga1  8  0.0000  0.2048  0.5669  1
  Ga  Ga2  8  0.0000  0.4508  0.1520  1
  Ga  Ga3  4  0.0000  0.0000  0.0000  1
  Ni  Ni4  8  0.0000  0.3928  0.5341  1
  Ni  Ni5  4  0.0000  0.1247  0.7500  1
]