data_[Th4In2As4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8291]
_cell_length_b [4.0724]
_cell_length_c [6.8500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th2In(AsN)2]
_chemical_formula_sum '[Th4 In2 As4 N4]'
_cell_volume [292.4734]
_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
[
  Th  Th0  4  0.1985  0.0000  0.7501  1
  In  In1  2  0.0000  0.0000  0.0000  1
  As  As2  4  0.0382  0.5000  0.3307  1
  N  N3  4  0.2066  0.0000  0.0974  1
]