data_[Mn4Hg2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3629]
_cell_length_b [2.9604]
_cell_length_c [4.6971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn2HgIr]
_chemical_formula_sum '[Mn4 Hg2 Ir2]'
_cell_volume [127.4255]
_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
[
  Mn  Mn0  2  0.0084  0.0000  0.0265  1
  Mn  Mn1  2  0.2510  0.0000  0.7425  1
  Hg  Hg2  2  0.4972  0.0000  0.5186  1
  Ir  Ir3  2  0.2435  0.5000  0.2124  1
]