data_[Pr16Th4As24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3410]
_cell_length_b [14.6309]
_cell_length_c [19.6798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr4ThAs6]
_chemical_formula_sum '[Pr16 Th4 As24]'
_cell_volume [1249.9170]
_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
[
  Pr  Pr0  8  0.0000  0.1393  0.0449  1
  Pr  Pr1  8  0.0000  0.4045  0.1345  1
  Th  Th2  4  0.0000  0.3307  0.7500  1
  As  As3  8  0.0000  0.0420  0.1863  1
  As  As4  8  0.0000  0.2322  0.5925  1
  As  As5  4  0.0000  0.2929  0.2500  1
  As  As6  4  0.0000  0.5000  0.0000  1
]