data_[Ba6Sr2Ag1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.4022]
_cell_length_b [4.4022]
_cell_length_c [30.5089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ba6Sr2Ag]
_chemical_formula_sum '[Ba6 Sr2 Ag1]'
_cell_volume [512.0253]
_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  2  0.0000  0.0000  0.1984  1.0
  Ba  Ba1  2  0.0000  0.0000  0.4334  1.0
  Ba  Ba2  2  0.3333  0.6667  0.0733  1.0
  Sr  Sr3  2  0.3333  0.6667  0.6847  1.0
  Ag  Ag4  1  0.0000  0.0000  0.0000  1.0
]