data_[Th6Np6Pt45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Np  1.3600  1.7500  1.0000
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.3077]
_cell_length_b [9.3077]
_cell_length_c [13.9136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th2Np2Pt15]
_chemical_formula_sum '[Th6 Np6 Pt45]'
_cell_volume [1043.8923]
_cell_formula_units_Z [3]
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
[
  Th  Th0  6  0.0000  0.0000  0.3529  1
  Np  Np1  6  0.0000  0.0000  0.0827  1
  Pt  Pt2  18  0.0000  0.3228  0.0000  1
  Pt  Pt3  18  0.0026  0.5013  0.1606  1
  Pt  Pt4  9  0.0000  0.5000  0.5000  1
]