data_[Sr4Hg4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5151]
_cell_length_b [4.5055]
_cell_length_c [5.8725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8646]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrHgIr]
_chemical_formula_sum '[Sr4 Hg4 Ir4]'
_cell_volume [321.4879]
_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
[
  Sr  Sr0  4  0.1178  0.0000  0.3152  1
  Hg  Hg1  4  0.0910  0.5000  0.7173  1
  Ir  Ir2  4  0.2211  0.0000  0.9146  1
]