data_[Th16Co2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4151]
_cell_length_b [3.7977]
_cell_length_c [8.8976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th8CoPt2]
_chemical_formula_sum '[Th16 Co2 Pt4]'
_cell_volume [620.2678]
_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  4  0.0136  0.0000  0.2070  1
  Th  Th1  4  0.0914  0.5000  0.5225  1
  Th  Th2  4  0.1599  0.5000  0.9959  1
  Th  Th3  4  0.2149  0.0000  0.3390  1
  Co  Co4  2  0.0000  0.5000  0.0000  1
  Pt  Pt5  4  0.1682  0.0000  0.7414  1
]