data_[Th4Ag4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ag  1.9300  1.6000  1.0867
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3298]
_cell_length_b [4.0550]
_cell_length_c [7.5909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThAgPt]
_chemical_formula_sum '[Th4 Ag4 Pt4]'
_cell_volume [272.5900]
_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
[
  Th  Th0  4  0.0581  0.0000  0.8106  1
  Ag  Ag1  4  0.1632  0.5000  0.5571  1
  Pt  Pt2  4  0.1536  0.5000  0.1551  1
]