data_[Re4Tc2Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  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 [9.5200]
_cell_length_b [2.8482]
_cell_length_c [4.8579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Re2TcHg]
_chemical_formula_sum '[Re4 Tc2 Hg2]'
_cell_volume [129.0918]
_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
[
  Re  Re0  4  0.2361  0.0000  0.2199  1
  Tc  Tc1  2  0.0000  0.5000  0.0000  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
]