data_[Th12Ge4Sb6P2]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2170]
_cell_length_b [4.3429]
_cell_length_c [8.8328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Ge2Sb3P]
_chemical_formula_sum '[Th12 Ge4 Sb6 P2]'
_cell_volume [712.8940]
_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  0.0038  0.0000  0.2284  1
  Th  Th1  4  0.1577  0.5000  0.0922  1
  Th  Th2  4  0.1713  0.5000  0.5708  1
  Ge  Ge3  4  0.1662  0.0000  0.3325  1
  Sb  Sb4  4  0.1684  0.0000  0.8337  1
  Sb  Sb5  2  0.0000  0.5000  0.5000  1
  P  P6  2  0.0000  0.5000  0.0000  1
]