data_[Tc4As4H8O8F40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4338]
_cell_length_b [8.5072]
_cell_length_c [20.8362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TcAsH2(OF5)2]
_chemical_formula_sum '[Tc4 As4 H8 O8 F40]'
_cell_volume [962.9865]
_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  0.4135  0.0863  0.6461  1
  As  As1  4  0.3107  0.1666  0.8642  1
  H  H2  4  0.0313  0.6885  0.5175  1
  H  H3  4  0.2947  0.7331  0.9589  1
  O  O4  4  0.3080  0.2312  0.1592  1
  O  O5  4  0.3250  0.5149  0.2109  1
  F  F6  4  0.0546  0.1984  0.9175  1
  F  F7  4  0.0941  0.6799  0.4733  1
  F  F8  4  0.1401  0.2346  0.3046  1
  F  F9  4  0.1803  0.0178  0.5864  1
  F  F10  4  0.1939  0.5170  0.3426  1
  F  F11  4  0.2567  0.6162  0.8331  1
  F  F12  4  0.4197  0.1347  0.3929  1
  F  F13  4  0.4362  0.6564  0.6863  1
  F  F14  4  0.4415  0.6626  0.9492  1
  F  F15  4  0.4831  0.0897  0.9287  1
]