data_[Ba3Cu6Ag3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4455]
_cell_length_b [4.4455]
_cell_length_c [16.8982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaCu2Ag]
_chemical_formula_sum '[Ba3 Cu6 Ag3]'
_cell_volume [289.2109]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2537  1.0
  Cu  Cu1  3  0.0000  0.0000  0.0592  1.0
  Cu  Cu2  3  0.0000  0.0000  0.7398  1.0
  Ag  Ag3  3  0.0000  0.0000  0.4469  1.0
]