data_[Ce4Th2U6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  U  1.3800  1.7500  0.9913
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9182]
_cell_length_b [11.9858]
_cell_length_c [7.0557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Th(UP2)3]
_chemical_formula_sum '[Ce4 Th2 U6 P12]'
_cell_volume [552.9557]
_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
[
  Ce  Ce0  4  0.0000  0.3332  0.0000  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  U  U2  4  0.0000  0.1663  0.5000  1
  U  U3  2  0.0000  0.5000  0.5000  1
  P  P4  8  0.2446  0.3323  0.7370  1
  P  P5  4  0.2481  0.0000  0.7374  1
]