data_[Pr3Sn1P2Pt9]
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
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.4127]
_cell_length_b [6.4127]
_cell_length_c [9.1786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Pr3SnP2Pt9]
_chemical_formula_sum '[Pr3 Sn1 P2 Pt9]'
_cell_volume [326.8846]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.7058  1
  Pr  Pr1  1  0.0000  0.0000  0.0000  1
  Sn  Sn2  1  0.0000  0.0000  0.5000  1
  P  P3  2  0.3333  0.6667  0.1698  1
  Pt  Pt4  6  0.1487  0.2974  0.2721  1
  Pt  Pt5  3  0.0000  0.5000  0.0000  1
]