data_[Ti2Re4Tc4]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4115]
_cell_length_b [4.1256]
_cell_length_c [5.3954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti(ReTc)2]
_chemical_formula_sum '[Ti2 Re4 Tc4]'
_cell_volume [164.6296]
_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  0.0000  0.0000  1
  Re  Re1  4  0.1454  0.5000  0.6478  1
  Tc  Tc2  4  0.1765  0.5000  0.1674  1
]