data_[Th14Ge6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0143]
_cell_length_b [24.1681]
_cell_length_c [4.7939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Th7Ge3N2]
_chemical_formula_sum '[Th14 Ge6 N4]'
_cell_volume [580.9610]
_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  0.0000  0.0989  0.5000  1
  Th  Th1  4  0.0000  0.2054  0.0000  1
  Th  Th2  4  0.0000  0.3961  0.0000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
  Ge  Ge4  4  0.0000  0.3084  0.5000  1
  Ge  Ge5  2  0.0000  0.5000  0.5000  1
  N  N6  4  0.0000  0.1035  0.0000  1
]