data_[Re4Tc12Ru8]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9351]
_cell_length_b [7.4972]
_cell_length_c [6.9292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ReTc3Ru2]
_chemical_formula_sum '[Re4 Tc12 Ru8]'
_cell_volume [351.3186]
_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
[
  Tc  Tc0  8  0.2497  0.4163  0.4982  1
  Re  Re1  4  0.0000  0.0840  0.7500  1
  Tc  Tc2  4  0.0000  0.4174  0.7500  1
  Ru  Ru3  8  0.1251  0.2492  0.1251  1
]