data_[Pr10Pt2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5496]
_cell_length_b [6.0599]
_cell_length_c [8.5569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5PtSe5]
_chemical_formula_sum '[Pr10 Pt2 Se10]'
_cell_volume [667.7986]
_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  0.1540  0.0000  0.8323  1
  Pr  Pr1  4  0.1629  0.0000  0.3341  1
  Pr  Pr2  2  0.0000  0.5000  0.0000  1
  Pt  Pt3  2  0.0000  0.0000  0.0000  1
  Se  Se4  4  0.1722  0.5000  0.8415  1
  Se  Se5  4  0.1780  0.5000  0.3302  1
  Se  Se6  2  0.0000  0.0000  0.5000  1
]