data_[Th24Si3As12P9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4118]
_cell_length_b [8.4118]
_cell_length_c [20.7376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th8SiAs4P3]
_chemical_formula_sum '[Th24 Si3 As12 P9]'
_cell_volume [1270.7824]
_cell_formula_units_Z [3]
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  18  0.0019  0.5010  0.7537  1
  Th  Th1  6  0.0000  0.0000  0.2456  1
  Si  Si2  3  0.0000  0.0000  0.5000  1
  As  As3  9  0.0000  0.5000  0.0000  1
  As  As4  3  -0.0000  -0.0000  0.0000  1
  P  P5  9  0.0000  0.5000  0.5000  1
]