data_[Th8Be4Cr4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3043]
_cell_length_b [13.3974]
_cell_length_c [9.7258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Th2BeCrN5]
_chemical_formula_sum '[Th8 Be4 Cr4 N20]'
_cell_volume [430.5514]
_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
[
  Th  Th0  4  0.0000  0.1222  0.6933  1
  Th  Th1  4  0.0000  0.1291  0.3209  1
  Be  Be2  4  0.0000  0.4354  0.4420  1
  Cr  Cr3  4  0.0000  0.1932  0.0171  1
  N  N4  4  0.0000  0.0553  0.0181  1
  N  N5  4  0.0000  0.2990  0.6547  1
  N  N6  4  0.0000  0.3095  0.3795  1
  N  N7  4  0.0000  0.3409  0.0128  1
  N  N8  4  0.0000  0.4979  0.2856  1
]