data_[Ba4Re2Sb2P12]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3080]
_cell_length_b [6.9289]
_cell_length_c [4.9157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2ReSbP6]
_chemical_formula_sum '[Ba4 Re2 Sb2 P12]'
_cell_volume [487.3294]
_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  4  0.1949  0.5000  0.6506  1
  Re  Re1  2  0.0000  0.5000  0.0000  1
  Sb  Sb2  2  0.0000  0.0000  0.5000  1
  P  P3  8  0.0965  0.2491  0.1785  1
  P  P4  4  0.1311  0.0000  0.9096  1
]