data_[Fe2Ge14N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.8487]
_cell_length_b [7.4644]
_cell_length_c [10.2923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [FeGe7N10]
_chemical_formula_sum '[Fe2 Ge14 N20]'
_cell_volume [512.3821]
_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
[
  Fe  Fe0  2  0.9950  0.1246  0.2051  1
  Ge  Ge1  2  0.1171  0.3970  0.0745  1
  Ge  Ge2  2  0.3040  0.3731  0.3796  1
  Ge  Ge3  2  0.3303  0.0154  0.0188  1
  Ge  Ge4  2  0.4948  0.3623  0.6830  1
  Ge  Ge5  2  0.5416  0.0168  0.3170  1
  Ge  Ge6  2  0.6558  0.3517  0.9893  1
  Ge  Ge7  2  0.8426  0.3822  0.3161  1
  N  N8  2  0.0799  0.4275  0.4428  1
  N  N9  2  0.1302  0.1496  0.0601  1
  N  N10  2  0.2954  0.1238  0.3563  1
  N  N11  2  0.3014  0.4853  0.2205  1
  N  N12  2  0.4435  0.1221  0.6667  1
  N  N13  2  0.5165  0.4443  0.5163  1
  N  N14  2  0.5323  0.1363  0.9604  1
  N  N15  2  0.7145  0.4000  0.8234  1
  N  N16  2  0.7677  0.1436  0.3045  1
  N  N17  2  0.8797  0.3614  0.1349  1
]