data_[Ba8In1Ag2N1]
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/m]
_cell_length_a [7.6394]
_cell_length_b [9.7248]
_cell_length_c [7.7929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba8InAg2N]
_chemical_formula_sum '[Ba8 In1 Ag2 N1]'
_cell_volume [578.7616]
_cell_formula_units_Z [1]
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  0.2093  0.2052  0.1665  1
  Ba  Ba1  2  0.2355  0.0000  0.7231  1
  Ba  Ba2  2  0.2746  0.5000  0.6594  1
  In  In3  1  0.0000  0.5000  0.0000  1
  Ag  Ag4  2  0.5000  0.2249  0.5000  1
  N  N5  1  0.0000  0.0000  0.0000  1
]