data_[Hg2As4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6919]
_cell_length_b [2.9500]
_cell_length_c [5.5274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgAs2Ir]
_chemical_formula_sum '[Hg2 As4 Ir2]'
_cell_volume [163.8167]
_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
[
  Hg  Hg0  2  0.0654  0.5000  0.6276  1
  As  As1  2  0.2253  0.5000  0.2314  1
  As  As2  2  0.4051  0.5000  0.0155  1
  Ir  Ir3  2  0.3041  0.0000  0.6255  1
]