data_[Ba16Ca4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.0825]
_cell_length_b [15.8154]
_cell_length_c [7.4583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4CaAg]
_chemical_formula_sum '[Ba16 Ca4 Ag4]'
_cell_volume [1239.7548]
_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  8  0.1075  0.1691  0.0532  1
  Ba  Ba1  8  0.2233  0.4096  0.3726  1
  Ca  Ca2  4  0.0000  0.3873  0.7500  1
  Ag  Ag3  4  0.0000  0.0001  0.7500  1
]