data_[Re2Ni2Hg2]
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 [P-1]
_cell_length_a [2.7851]
_cell_length_b [5.9175]
_cell_length_c [5.9687]
_cell_angle_alpha [102.3445]
_cell_angle_beta [100.2723]
_cell_angle_gamma [90.2815]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ReNiHg]
_chemical_formula_sum '[Re2 Ni2 Hg2]'
_cell_volume [94.4607]
_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  0.0942  0.5493  0.3164  1
  Ni  Ni1  2  0.4920  0.2942  0.9963  1
  Hg  Hg2  2  0.1219  0.0569  0.2873  1
]