data_[Ba4Ag12Sb8]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8640]
_cell_length_b [4.6751]
_cell_length_c [8.5289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaAg3Sb2]
_chemical_formula_sum '[Ba4 Ag12 Sb8]'
_cell_volume [646.2206]
_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  0.1445  0.0000  0.0683  1.0
  Ag  Ag1  4  0.0439  0.0000  0.3910  1.0
  Ag  Ag2  4  0.0900  0.5000  0.6491  1.0
  Ag  Ag3  4  0.1927  0.5000  0.4582  1.0
  Sb  Sb4  4  0.0215  0.5000  0.1930  1.0
  Sb  Sb5  4  0.1952  0.0000  0.6989  1.0
]