data_[Th12Sb8P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  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 [7.5474]
_cell_length_b [13.0609]
_cell_length_c [7.6811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3Sb2P]
_chemical_formula_sum '[Th12 Sb8 P4]'
_cell_volume [715.3579]
_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  0.2464  0.3226  0.7735  1
  Th  Th1  4  0.2165  0.5000  0.2177  1
  Sb  Sb2  4  0.0000  0.1574  0.5000  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
  Sb  Sb4  2  0.0000  0.5000  0.5000  1
  P  P5  4  0.0000  0.3310  0.0000  1
]