data_[La8Zn4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9042]
_cell_length_b [3.8610]
_cell_length_c [8.7950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4Zn2N]
_chemical_formula_sum '[La8 Zn4 N2]'
_cell_volume [366.7050]
_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  4  0.0813  0.0000  0.3351  1
  La  La1  4  0.1513  0.5000  0.0638  1
  Zn  Zn2  4  0.1196  0.5000  0.6589  1
  N  N3  2  0.0000  0.0000  0.0000  1
]