data_[Ba12In4Ag2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1594]
_cell_length_b [8.6353]
_cell_length_c [14.2453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6In2AgN]
_chemical_formula_sum '[Ba12 In4 Ag2 N2]'
_cell_volume [831.9017]
_cell_formula_units_Z [2]
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  0.1331  0.5184  0.2262  1.0
  Ba  Ba1  4  0.2137  0.2210  0.0445  1.0
  Ba  Ba2  4  0.3308  0.6747  0.0490  1.0
  In  In3  4  0.2755  0.5749  0.7479  1.0
  Ag  Ag4  2  0.5000  0.0000  0.0000  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]