data_[Re10Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5152]
_cell_length_b [2.8066]
_cell_length_c [14.8623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Re5Hg]
_chemical_formula_sum '[Re10 Hg2]'
_cell_volume [188.3405]
_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  2  0.0000  0.0000  0.3300  1
  Re  Re1  2  0.0000  0.0000  0.6753  1
  Re  Re2  2  0.5000  0.0000  0.1166  1
  Re  Re3  2  0.5000  0.0000  0.4342  1
  Re  Re4  2  0.5000  0.0000  0.7750  1
  Hg  Hg5  2  0.0000  0.0000  0.0023  1
]