data_[Ba2Sb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4886]
_cell_length_b [4.1732]
_cell_length_c [7.5820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaSb5]
_chemical_formula_sum '[Ba2 Sb10]'
_cell_volume [385.0382]
_cell_formula_units_Z [2]
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  0.0476  0.0000  0.0239  1
  Sb  Sb1  2  0.0039  0.0000  0.5049  1
  Sb  Sb2  2  0.1669  0.5000  0.4373  1
  Sb  Sb3  2  0.2605  0.5000  0.9419  1
  Sb  Sb4  2  0.3225  0.0000  0.6910  1
  Sb  Sb5  2  0.3653  0.0000  0.2343  1
]