data_[Ba1Ga2Ag6]
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 [P4/mmm]
_cell_length_a [4.7798]
_cell_length_b [4.7798]
_cell_length_c [8.5243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ba(GaAg3)2]
_chemical_formula_sum '[Ba1 Ga2 Ag6]'
_cell_volume [194.7483]
_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  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  2  0.5000  0.5000  0.1606  1.0
  Ag  Ag2  4  0.0000  0.5000  0.3062  1.0
  Ag  Ag3  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag4  1  0.5000  0.5000  0.5000  1.0
]