data_[La8Pr2Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.4986]
_cell_length_b [9.4986]
_cell_length_c [5.9654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La4PrPt4]
_chemical_formula_sum '[La8 Pr2 Pt8]'
_cell_volume [538.2125]
_cell_formula_units_Z [2]
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  8  0.1028  0.6912  0.5000  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Pt  Pt2  8  0.1022  0.7037  0.0000  1
]