data_[Pr6Al4Pt8]
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 [11.1629]
_cell_length_b [4.3812]
_cell_length_c [8.7993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(AlPt2)2]
_chemical_formula_sum '[Pr6 Al4 Pt8]'
_cell_volume [394.8277]
_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  0.1304  0.5000  0.6971  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.1734  0.5000  0.3425  1
  Pt  Pt3  4  0.0936  0.0000  0.4154  1
  Pt  Pt4  4  0.2135  0.5000  0.0769  1
]