data_[La16Ge4N4]
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 [C2/c]
_cell_length_a [14.3639]
_cell_length_b [6.3464]
_cell_length_c [7.5117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4GeN]
_chemical_formula_sum '[La16 Ge4 N4]'
_cell_volume [648.4151]
_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
[
  La  La0  8  0.0971  0.4226  0.9650  1
  La  La1  8  0.1743  0.0663  0.6670  1
  Ge  Ge2  4  0.0000  0.1521  0.2500  1
  N  N3  4  0.2500  0.2500  0.0000  1
]