data_[Re4Ni4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ni  1.9100  1.3500  0.7400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8205]
_cell_length_b [3.7888]
_cell_length_c [5.9555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReNiHg]
_chemical_formula_sum '[Re4 Ni4 Hg4]'
_cell_volume [189.4414]
_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
[
  Re  Re0  2  0.1959  0.5000  0.7750  1
  Re  Re1  2  0.3521  0.0000  0.6702  1
  Ni  Ni2  2  0.0379  0.0000  0.5182  1
  Ni  Ni3  2  0.2044  0.5000  0.3633  1
  Hg  Hg4  2  0.0390  0.0000  0.0091  1
  Hg  Hg5  2  0.3695  0.0000  0.2030  1
]