data_[Ti9Be24Re3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4791]
_cell_length_b [4.4791]
_cell_length_c [22.0479]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ti3Be8Re]
_chemical_formula_sum '[Ti9 Be24 Re3]'
_cell_volume [383.0641]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3750  1.0
  Ti  Ti1  3  0.0000  0.0000  0.5010  1.0
  Ti  Ti2  3  0.0000  0.0000  0.9984  1.0
  Be  Be3  9  0.0064  0.5032  0.4398  1.0
  Be  Be4  9  0.1672  0.3345  0.2684  1.0
  Be  Be5  3  0.0000  0.0000  0.1869  1.0
  Be  Be6  3  0.0000  0.0000  0.6887  1.0
  Re  Re7  3  0.0000  0.0000  0.8752  1.0
]