data_[Ba8Cu4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7465]
_cell_length_b [17.7808]
_cell_length_c [8.5400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2CuSb2]
_chemical_formula_sum '[Ba8 Cu4 Sb8]'
_cell_volume [720.7430]
_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  0.0000  0.0341  0.2889  1
  Ba  Ba1  4  0.0000  0.2177  0.6001  1
  Cu  Cu2  4  0.0000  0.4109  0.4140  1
  Sb  Sb3  4  0.0000  0.1521  0.9747  1
  Sb  Sb4  4  0.0000  0.4362  0.0880  1
]