data_[La4Al4Pt12]
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 [Pnma]
_cell_length_a [8.4987]
_cell_length_b [4.1914]
_cell_length_c [10.7077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaAlPt3]
_chemical_formula_sum '[La4 Al4 Pt12]'
_cell_volume [381.4189]
_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  0.1823  0.2500  0.0112  1
  Al  Al1  4  0.0977  0.2500  0.3560  1
  Pt  Pt2  4  0.0681  0.2500  0.5860  1
  Pt  Pt3  4  0.1176  0.7500  0.7970  1
  Pt  Pt4  4  0.1508  0.7500  0.2198  1
]