data_[Mn4Tc4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [3.2931]
_cell_length_b [4.5475]
_cell_length_c [13.1858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [MnTcHg]
_chemical_formula_sum '[Mn4 Tc4 Hg4]'
_cell_volume [197.4620]
_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
[
  Mn  Mn0  4  0.0000  0.0000  0.6800  1
  Tc  Tc1  4  0.0000  0.0000  0.3168  1
  Hg  Hg2  4  0.0000  0.0000  0.0032  1
]