data_[Pr2Sb1Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8426]
_cell_length_b [4.5552]
_cell_length_c [8.0635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr2SbPt3]
_chemical_formula_sum '[Pr2 Sb1 Pt3]'
_cell_volume [141.1440]
_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  1  0.0000  0.0000  0.5296  1.0
  Pr  Pr1  1  0.0000  0.5000  0.9783  1.0
  Sb  Sb2  1  0.5000  0.5000  0.3263  1.0
  Pt  Pt3  1  0.5000  0.0000  0.1707  1.0
  Pt  Pt4  1  0.5000  0.0000  0.8390  1.0
  Pt  Pt5  1  0.5000  0.5000  0.6562  1.0
]