data_[Th2P4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4160]
_cell_length_b [4.4160]
_cell_length_c [9.2550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Th(PPt)2]
_chemical_formula_sum '[Th2 P4 Pt4]'
_cell_volume [180.4809]
_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
[
  Th  Th0  2  0.0000  0.5000  0.2478  1
  P  P1  2  0.0000  0.0000  0.0000  1
  P  P2  2  0.0000  0.5000  0.6274  1
  Pt  Pt3  2  0.0000  0.0000  0.5000  1
  Pt  Pt4  2  0.0000  0.5000  0.8864  1
]