data_[Re2Tc2W12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Tc  1.9000  1.3500  0.7417
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.3095]
_cell_length_b [8.9504]
_cell_length_c [4.4845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ReTcW6]
_chemical_formula_sum '[Re2 Tc2 W12]'
_cell_volume [253.2534]
_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
[
  Tc  Tc0  2  0.0000  0.0000  0.5000  1
  Re  Re1  2  0.0000  0.5000  0.5000  1
  W  W2  4  0.0000  0.2488  0.0000  1
  W  W3  4  0.2490  0.5000  0.0000  1
  W  W4  4  0.2500  0.2500  0.5000  1
]