data_[La20Ge8N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0044]
_cell_length_b [5.0044]
_cell_length_c [35.6911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La10Ge4N3]
_chemical_formula_sum '[La20 Ge8 N6]'
_cell_volume [893.8418]
_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
[
  La  La0  8  0.0000  0.5000  0.1397  1
  La  La1  4  0.0000  0.0000  0.0699  1
  La  La2  4  0.0000  0.0000  0.2153  1
  La  La3  4  0.0000  0.5000  0.0000  1
  Ge  Ge4  4  0.0000  0.0000  0.3028  1
  Ge  Ge5  4  0.0000  0.0000  0.4314  1
  N  N6  4  0.0000  0.0000  0.1457  1
  N  N7  2  0.0000  0.0000  0.0000  1
]