data_[Ba4Ag4Sb4]
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 [Cm]
_cell_length_a [8.4681]
_cell_length_b [4.8876]
_cell_length_c [10.1782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaAgSb]
_chemical_formula_sum '[Ba4 Ag4 Sb4]'
_cell_volume [405.8324]
_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  2  0.0527  0.5000  0.6179  1.0
  Ba  Ba1  2  0.3964  0.0000  0.1346  1.0
  Ag  Ag2  2  0.2819  0.0000  0.8122  1.0
  Ag  Ag3  2  0.3056  0.5000  0.3698  1.0
  Sb  Sb4  2  0.1399  0.0000  0.3725  1.0
  Sb  Sb5  2  0.4649  0.5000  0.8603  1.0
]