data_[Ta8Ti8Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2846]
_cell_length_b [8.1965]
_cell_length_c [7.3604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2Ti2Re]
_chemical_formula_sum '[Ta8 Ti8 Re4]'
_cell_volume [349.3588]
_cell_formula_units_Z [4]
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
[
  Ta  Ta0  8  0.1507  0.1920  0.7106  1
  Ti  Ti1  4  0.0988  0.5000  0.8753  1
  Ti  Ti2  4  0.2393  0.5000  0.5570  1
  Re  Re3  4  0.0000  0.1703  0.0000  1
]