data_[Ce2Th4U6P12]
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 [17.6644]
_cell_length_b [4.0063]
_cell_length_c [8.1301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeTh2(UP2)3]
_chemical_formula_sum '[Ce2 Th4 U6 P12]'
_cell_volume [557.4469]
_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  2  0.0000  0.5000  0.0000  1
  Th  Th1  4  0.1662  0.0000  0.3326  1
  U  U2  4  0.1668  0.0000  0.8335  1
  U  U3  2  0.0000  0.5000  0.5000  1
  P  P4  4  0.0036  0.0000  0.7440  1
  P  P5  4  0.1633  0.5000  0.5919  1
  P  P6  4  0.1690  0.5000  0.0740  1
]