data_[La4Al16Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3276]
_cell_length_b [16.1669]
_cell_length_c [6.7602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LaAl4Pt]
_chemical_formula_sum '[La4 Al16 Pt4]'
_cell_volume [472.9758]
_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  0.1157  0.2500  1.0
  Al  Al1  8  0.0000  0.3127  0.0536  1.0
  Al  Al2  4  0.0000  0.0720  0.7500  1.0
  Al  Al3  4  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  4  0.0000  0.2230  0.7500  1.0
]