data_[Th12Ag2Sb10]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7769]
_cell_length_b [13.4222]
_cell_length_c [7.7661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6AgSb5]
_chemical_formula_sum '[Th12 Ag2 Sb10]'
_cell_volume [764.1174]
_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  8  0.2441  0.1640  0.2435  1
  Th  Th1  4  0.2438  0.0000  0.7494  1
  Ag  Ag2  2  0.0000  0.0000  0.0000  1
  Sb  Sb3  4  0.0000  0.1722  0.5000  1
  Sb  Sb4  4  0.0000  0.3353  0.0000  1
  Sb  Sb5  2  0.0000  0.5000  0.5000  1
]