data_[Ba16Ga2Ag4]
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 [21.4184]
_cell_length_b [5.8908]
_cell_length_c [8.2480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8GaAg2]
_chemical_formula_sum '[Ba16 Ga2 Ag4]'
_cell_volume [1002.8429]
_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  0.0353  0.0000  0.8060  1.0
  Ba  Ba1  4  0.0885  0.5000  0.4306  1.0
  Ba  Ba2  4  0.1649  0.5000  0.9679  1.0
  Ba  Ba3  4  0.2083  0.0000  0.3285  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag5  4  0.1894  0.0000  0.7232  1.0
]