data_[Th12Ge4Sb2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7973]
_cell_length_b [4.3115]
_cell_length_c [8.6421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Ge2SbAs3]
_chemical_formula_sum '[Th12 Ge4 Sb2 As6]'
_cell_volume [682.4024]
_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  0.0018  0.0000  0.2655  1
  Th  Th1  4  0.1678  0.5000  0.5820  1
  Th  Th2  4  0.1726  0.5000  0.0896  1
  Ge  Ge3  4  0.1667  0.0000  0.3328  1
  Sb  Sb4  2  0.0000  0.5000  0.0000  1
  As  As5  4  0.1637  0.0000  0.8331  1
  As  As6  2  0.0000  0.5000  0.5000  1
]