data_[Ba4Ag12Sn8]
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 [17.9961]
_cell_length_b [4.7992]
_cell_length_c [8.1640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaAg3Sn2]
_chemical_formula_sum '[Ba4 Ag12 Sn8]'
_cell_volume [637.0099]
_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  0.1517  0.0000  0.0832  1
  Ag  Ag1  4  0.0211  0.0000  0.3547  1
  Ag  Ag2  4  0.0908  0.5000  0.6569  1
  Ag  Ag3  4  0.1930  0.5000  0.4591  1
  Sn  Sn4  4  0.0252  0.5000  0.1935  1
  Sn  Sn5  4  0.1810  0.0000  0.6636  1
]