data_[Ba4Tc4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2532]
_cell_length_b [4.0860]
_cell_length_c [9.4156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTcHg2]
_chemical_formula_sum '[Ba4 Tc4 Hg8]'
_cell_volume [454.1350]
_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
[
  Ba  Ba0  4  0.1684  0.5000  0.6168  1
  Tc  Tc1  4  0.2110  0.5000  0.0117  1
  Hg  Hg2  4  0.0417  0.0000  0.7680  1
  Hg  Hg3  4  0.0951  0.5000  0.1829  1
]