data_[Fe6Re2Tc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Re  1.9000  1.3500  0.7125
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.7785]
_cell_length_b [4.7785]
_cell_length_c [5.6534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Fe6Re2Tc]
_chemical_formula_sum '[Fe6 Re2 Tc1]'
_cell_volume [111.7964]
_cell_formula_units_Z [1]
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
[
  Fe  Fe0  6  0.1760  0.3521  0.3366  1
  Re  Re1  2  0.3333  0.6667  0.9001  1
  Tc  Tc2  1  0.0000  0.0000  0.0000  1
]