data_[La12Zn4N4]
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 [P2_1/c]
_cell_length_a [8.8392]
_cell_length_b [6.4563]
_cell_length_c [9.8875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La3ZnN]
_chemical_formula_sum '[La12 Zn4 N4]'
_cell_volume [507.3403]
_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  0.0736  0.0780  0.3588  1.0
  La  La1  4  0.2019  0.5916  0.5482  1.0
  La  La2  4  0.3500  0.1197  0.7660  1.0
  Zn  Zn3  4  0.4304  0.6489  0.9100  1.0
  N  N4  4  0.0726  0.2499  0.1015  1.0
]