data_[La16Ge4N8]
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 [Cmcm]
_cell_length_a [3.9815]
_cell_length_b [12.5332]
_cell_length_c [13.0988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La4GeN2]
_chemical_formula_sum '[La16 Ge4 N8]'
_cell_volume [653.6412]
_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  0.0000  0.2325  0.6081  1.0
  La  La1  4  0.0000  0.0779  0.2500  1.0
  La  La2  4  0.0000  0.5000  0.0000  1.0
  Ge  Ge3  4  0.0000  0.4018  0.2500  1.0
  N  N4  8  0.0000  0.1416  0.0562  1.0
]