data_[Ba2Re4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Re  1.9000  1.3500  0.7125
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7929]
_cell_length_b [4.4123]
_cell_length_c [11.5309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(ReSb)2]
_chemical_formula_sum '[Ba2 Re4 Sb4]'
_cell_volume [243.3306]
_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  0.2076  0.2500  0.7552  1
  Re  Re1  2  0.1410  0.7500  0.5013  1
  Re  Re2  2  0.2688  0.2500  0.1244  1
  Sb  Sb3  2  0.2498  0.7500  0.9928  1
  Sb  Sb4  2  0.3289  0.2500  0.3658  1
]