data_[Th6Zr3P9Rh36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5788]
_cell_length_b [8.5788]
_cell_length_c [14.8066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th2Zr(PRh4)3]
_chemical_formula_sum '[Th6 Zr3 P9 Rh36]'
_cell_volume [943.7195]
_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  6  0.0000  0.0000  0.3906  1
  Zr  Zr1  3  0.0000  0.0000  0.0000  1
  P  P2  9  0.0000  0.5000  0.5000  1
  Rh  Rh3  18  0.0216  0.5108  0.3500  1
  Rh  Rh4  18  0.0530  0.5265  0.8543  1
]