data_[Ba20Ag8Pt4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6459]
_cell_length_b [20.4337]
_cell_length_c [14.5654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Ag2PtN]
_chemical_formula_sum '[Ba20 Ag8 Pt4 N4]'
_cell_volume [1382.7340]
_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  0.0424  0.0144  1.0
  Ba  Ba1  4  0.0000  0.2883  0.6753  1.0
  Ba  Ba2  4  0.0000  0.3263  0.3849  1.0
  Ba  Ba3  4  0.0000  0.3528  0.0073  1.0
  Ba  Ba4  4  0.0000  0.4953  0.7779  1.0
  Ag  Ag5  4  0.0000  0.1114  0.6811  1.0
  Ag  Ag6  4  0.0000  0.1335  0.3256  1.0
  Pt  Pt7  4  0.0000  0.2037  0.0319  1.0
  N  N8  4  0.0000  0.4496  0.4257  1.0
]