data_[Ti16Re2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Re  1.9000  1.3500  0.7125
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6280]
_cell_length_b [6.2842]
_cell_length_c [13.5665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti8ReSb2]
_chemical_formula_sum '[Ti16 Re2 Sb4]'
_cell_volume [394.5554]
_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
[
  Ti  Ti0  8  0.0000  0.2451  0.6423  1.0
  Ti  Ti1  4  0.0000  0.0000  0.1708  1.0
  Ti  Ti2  4  0.0000  0.2438  0.0000  1.0
  Re  Re3  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb4  4  0.0000  0.5000  0.1820  1.0
]