data_[Y12Cd4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.8400]
_cell_length_b [4.8406]
_cell_length_c [19.5626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Y3CdN]
_chemical_formula_sum '[Y12 Cd4 N4]'
_cell_volume [458.3188]
_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
[
  Y  Y0  4  0.0000  0.2500  0.1895  1.0
  Y  Y1  4  0.0000  0.2500  0.4281  1.0
  Y  Y2  4  0.0000  0.2500  0.9409  1.0
  Cd  Cd3  4  0.0000  0.2500  0.6927  1.0
  N  N4  4  0.0000  0.2500  0.0704  1.0
]