data_[Ba8Ga8Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0527]
_cell_length_b [4.9926]
_cell_length_c [12.0352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1392]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ga2Ag]
_chemical_formula_sum '[Ba8 Ga8 Ag4]'
_cell_volume [650.1450]
_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  0.0997  0.0000  0.8865  1.0
  Ba  Ba1  4  0.2089  0.5000  0.6541  1.0
  Ga  Ga2  4  0.0470  0.0000  0.4257  1.0
  Ga  Ga3  4  0.0963  0.5000  0.1022  1.0
  Ag  Ag4  4  0.0764  0.5000  0.3275  1.0
]