data_[Re4Tc12H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2359]
_cell_length_b [2.7849]
_cell_length_c [4.8095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8419]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReTc3H]
_chemical_formula_sum '[Re4 Tc12 H4]'
_cell_volume [243.3772]
_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  4  0.0632  0.5000  0.1900  1
  Re  Re1  4  0.0634  0.0000  0.6863  1
  Tc  Tc2  4  0.1801  0.0000  0.3915  1
  Tc  Tc3  4  0.1805  0.5000  0.8913  1
  H  H4  4  0.2497  0.5000  0.2509  1
]