data_[Pr4Al2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8569]
_cell_length_b [5.7201]
_cell_length_c [6.3169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2AlPt6]
_chemical_formula_sum '[Pr4 Al2 Pt12]'
_cell_volume [345.3993]
_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
[
  Pr  Pr0  4  0.1439  0.5000  0.8537  1
  Al  Al1  2  0.0000  0.0000  0.0000  1
  Pt  Pt2  8  0.1343  0.2571  0.3108  1
  Pt  Pt3  4  0.1192  0.0000  0.6904  1
]