data_[Ba4Y8Sn4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5457]
_cell_length_b [12.4358]
_cell_length_c [12.3865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaY2SnN4]
_chemical_formula_sum '[Ba4 Y8 Sn4 N16]'
_cell_volume [546.1635]
_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
[
  Ba  Ba0  4  0.0000  0.0991  0.7500  1
  Y  Y1  8  0.0000  0.3701  0.5333  1
  Sn  Sn2  4  0.0000  0.1679  0.2500  1
  N  N3  8  0.0000  0.2561  0.1104  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4272  0.7500  1
]