data_[Th16Tl4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8883]
_cell_length_b [13.4763]
_cell_length_c [6.1676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1716]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Th4TlOs]
_chemical_formula_sum '[Th16 Tl4 Os4]'
_cell_volume [693.4452]
_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  8  0.1160  0.1792  0.5635  1
  Th  Th1  8  0.2185  0.4143  0.8605  1
  Tl  Tl2  4  0.0000  0.3846  0.2500  1
  Os  Os3  4  0.0000  0.0005  0.2500  1
]