data_[Th12Ni4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.1869]
_cell_length_b [13.4688]
_cell_length_c [4.7357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Th3NiPt]
_chemical_formula_sum '[Th12 Ni4 Pt4]'
_cell_volume [522.1886]
_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  0.0000  0.1545  0.0000  1
  Th  Th1  4  0.1805  0.5000  0.5000  1
  Th  Th2  4  0.2500  0.2500  0.5000  1
  Ni  Ni3  4  0.0000  0.0877  0.5000  1
  Pt  Pt4  4  0.0000  0.3719  0.0000  1
]