data_[Ba6Ag2]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.4840]
_cell_length_b [8.0952]
_cell_length_c [11.4277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba3Ag]
_chemical_formula_sum '[Ba6 Ag2]'
_cell_volume [414.8116]
_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  0.0000  0.2545  0.1650  1.0
  Ba  Ba1  2  0.0000  0.5000  0.5363  1.0
  Ag  Ag2  2  0.0000  0.0000  0.6853  1.0
]