data_[Pr4Sn4Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2859]
_cell_length_b [18.8678]
_cell_length_c [5.8555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrSnPt4]
_chemical_formula_sum '[Pr4 Sn4 Pt16]'
_cell_volume [473.5095]
_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
[
  Pr  Pr0  4  0.0000  0.0836  0.2500  1.0
  Sn  Sn1  4  0.0000  0.2267  0.7500  1.0
  Pt  Pt2  8  0.0000  0.3416  0.0177  1.0
  Pt  Pt3  4  0.0000  0.0761  0.7500  1.0
  Pt  Pt4  4  0.0000  0.5000  0.0000  1.0
]