data_[Pa10Pt2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  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 [12.9625]
_cell_length_b [5.7112]
_cell_length_c [8.0624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa5PtSe5]
_chemical_formula_sum '[Pa10 Pt2 Se10]'
_cell_volume [566.3058]
_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
[
  Pa  Pa0  4  0.1635  0.0000  0.3280  1
  Pa  Pa1  4  0.1671  0.0000  0.8378  1
  Pa  Pa2  2  0.0000  0.5000  0.0000  1
  Pt  Pt3  2  0.0000  0.0000  0.0000  1
  Se  Se4  4  0.1595  0.5000  0.8172  1
  Se  Se5  4  0.1644  0.5000  0.3416  1
  Se  Se6  2  0.0000  0.0000  0.5000  1
]