data_[Li4Tc4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tc  1.9000  1.3500  0.7417
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.8169]
_cell_length_b [8.2543]
_cell_length_c [5.0452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTcH4]
_chemical_formula_sum '[Li4 Tc4 H16]'
_cell_volume [203.4416]
_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
[
  Li  Li0  4  0.0000  0.3566  0.7500  1
  Tc  Tc1  4  0.0000  0.0079  0.7500  1
  H  H2  8  0.0952  0.1556  0.0536  1
  H  H3  8  0.2447  0.4337  0.3355  1
]