data_[Ti2V2Re8]
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 [Cmmm]
_cell_length_a [4.3498]
_cell_length_b [9.3310]
_cell_length_c [4.3541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TiVRe4]
_chemical_formula_sum '[Ti2 V2 Re8]'
_cell_volume [176.7247]
_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  2  0.0000  0.5000  0.5000  1
  V  V1  2  0.0000  0.0000  0.0000  1
  Re  Re2  4  0.0000  0.1644  0.5000  1
  Re  Re3  4  0.0000  0.3362  0.0000  1
]