data_[Re4Ni2Hg2]
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 [8.9948]
_cell_length_b [2.7849]
_cell_length_c [5.0296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Re2NiHg]
_chemical_formula_sum '[Re4 Ni2 Hg2]'
_cell_volume [124.4692]
_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  0.0080  0.0000  0.9858  1
  Re  Re1  2  0.2544  0.0000  0.7982  1
  Ni  Ni2  2  0.2422  0.5000  0.2391  1
  Hg  Hg3  2  0.4954  0.0000  0.4769  1
]