data_[Ba12Ag4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5162]
_cell_length_b [5.1862]
_cell_length_c [16.9104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3AgSn3]
_chemical_formula_sum '[Ba12 Ag4 Sn12]'
_cell_volume [1024.1189]
_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  0.0261  0.5000  0.7704  1
  Ba  Ba1  4  0.1738  0.0000  0.6123  1
  Ba  Ba2  4  0.1762  0.5000  0.0794  1
  Ag  Ag3  4  0.1228  0.0000  0.3865  1
  Sn  Sn4  4  0.0346  0.0000  0.9245  1
  Sn  Sn5  4  0.0813  0.5000  0.4558  1
  Sn  Sn6  4  0.1794  0.0000  0.2309  1
]