data_[Tc2Cl5O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7480]
_cell_length_b [5.9256]
_cell_length_c [7.6835]
_cell_angle_alpha [70.7082]
_cell_angle_beta [80.3285]
_cell_angle_gamma [84.6948]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tc2Cl5O4]
_chemical_formula_sum '[Tc2 Cl5 O4]'
_cell_volume [243.3047]
_cell_formula_units_Z [1]
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  1  0.0086  0.9881  0.0059  1
  Tc  Tc1  1  0.3646  0.4674  0.5616  1
  Cl  Cl2  1  0.1652  0.1307  0.2019  1
  Cl  Cl3  1  0.3476  0.7578  0.9893  1
  Cl  Cl4  1  0.6069  0.2816  0.3942  1
  Cl  Cl5  1  0.7862  0.3384  0.9291  1
  Cl  Cl6  1  0.9571  0.9565  0.7248  1
  O  O7  1  0.1085  0.5514  0.4685  1
  O  O8  1  0.3014  0.2771  0.7875  1
  O  O9  1  0.4956  0.7134  0.5620  1
  O  O10  1  0.8163  0.7939  0.1543  1
]