data_[Ca4Tb4Th8Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Th  1.3000  1.8000  1.0800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.2751]
_cell_length_b [11.6491]
_cell_length_c [8.3419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [CaTb(ThPt2)2]
_chemical_formula_sum '[Ca4 Tb4 Th8 Pt16]'
_cell_volume [804.1366]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.0000  0.0000  0.4673  1
  Tb  Tb1  4  0.0000  0.0000  0.9371  1
  Th  Th2  8  0.2500  0.2500  0.1725  1
  Pt  Pt3  8  0.0000  0.2468  0.9223  1
  Pt  Pt4  8  0.2334  0.0000  0.2017  1
]