data_[Re2Hg2Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3587]
_cell_length_b [2.8279]
_cell_length_c [4.9231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReHgIr2]
_chemical_formula_sum '[Re2 Hg2 Ir4]'
_cell_volume [128.2252]
_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  0.0113  0.5000  0.5396  1
  Hg  Hg1  2  0.2491  0.5000  0.2363  1
  Ir  Ir2  2  0.2490  0.0000  0.7265  1
  Ir  Ir3  2  0.4907  0.5000  0.9976  1
]