data_[La12Ge4N4]
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 [Amm2]
_cell_length_a [3.8978]
_cell_length_b [10.0455]
_cell_length_c [12.9328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La3GeN]
_chemical_formula_sum '[La12 Ge4 N4]'
_cell_volume [506.3882]
_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  4  0.0000  0.2208  0.6411  1.0
  La  La1  4  0.5000  0.1866  0.8767  1.0
  La  La2  2  0.0000  0.0000  0.4496  1.0
  La  La3  2  0.5000  0.0000  0.2259  1.0
  Ge  Ge4  2  0.0000  0.0000  0.0212  1.0
  Ge  Ge5  2  0.5000  0.0000  0.6635  1.0
  N  N6  4  0.0000  0.1648  0.3049  1.0
]