data_[Ce2Th4Si2N10]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.7087]
_cell_length_b [6.7087]
_cell_length_c [5.7686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [CeTh2SiN5]
_chemical_formula_sum '[Ce2 Th4 Si2 N10]'
_cell_volume [259.6284]
_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  0.0000  0.0000  1
  Th  Th1  4  0.1776  0.3224  0.5000  1
  Si  Si2  2  0.0000  0.5000  0.0000  1
  N  N3  8  0.1370  0.6370  0.2200  1
  N  N4  2  0.0000  0.0000  0.5000  1
]