data_[Ti8V2Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4581]
_cell_length_b [4.4313]
_cell_length_c [5.5795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti4VRe]
_chemical_formula_sum '[Ti8 V2 Re2]'
_cell_volume [189.4801]
_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  4  0.1601  0.5000  0.3123  1
  Ti  Ti1  4  0.1773  0.5000  0.8210  1
  V  V2  2  0.0000  0.0000  0.5000  1
  Re  Re3  2  0.0000  0.0000  0.0000  1
]