data_[Pr2Y2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5889]
_cell_length_b [5.6744]
_cell_length_c [7.2370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [PrYPt2]
_chemical_formula_sum '[Pr2 Y2 Pt4]'
_cell_volume [188.4476]
_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  2  0.5000  0.1107  0.1814  1
  Y  Y1  2  0.0000  0.3908  0.8167  1
  Pt  Pt2  2  0.0000  0.1015  0.4576  1
  Pt  Pt3  2  0.5000  0.4067  0.5443  1
]