data_[Ba4Cu4Sb4]
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 [P2_13]
_cell_length_a [7.1287]
_cell_length_b [7.1287]
_cell_length_c [7.1287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [BaCuSb]
_chemical_formula_sum '[Ba4 Cu4 Sb4]'
_cell_volume [362.2633]
_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  0.1174  0.1174  0.1174  1.0
  Cu  Cu1  4  0.1034  0.6034  0.8966  1.0
  Sb  Sb2  4  0.1753  0.3247  0.6753  1.0
]