data_[La12Cd4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8722]
_cell_length_b [5.3854]
_cell_length_c [9.0554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3CdN]
_chemical_formula_sum '[La12 Cd4 N4]'
_cell_volume [536.5253]
_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  0.1083  0.0000  0.1947  1.0
  La  La1  4  0.1380  0.5000  0.9281  1.0
  La  La2  4  0.1474  0.0000  0.6720  1.0
  Cd  Cd3  4  0.1006  0.5000  0.4368  1.0
  N  N4  4  0.1232  0.0000  0.9263  1.0
]