data_[Tc4Hg2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5532]
_cell_length_b [6.5172]
_cell_length_c [6.0665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tc2HgO8]
_chemical_formula_sum '[Tc4 Hg2 O16]'
_cell_volume [439.7234]
_cell_formula_units_Z [2]
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  0.1914  0.0000  0.6592  1
  Hg  Hg1  2  0.0000  0.0000  0.0000  1
  O  O2  8  0.1343  0.2119  0.7373  1
  O  O3  4  0.1526  0.0000  0.3280  1
  O  O4  4  0.1544  0.5000  0.1780  1
]