data_[Mn2Hg2Sb2Cl12]
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
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6597]
_cell_length_b [11.8638]
_cell_length_c [8.5018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MnHgSbCl6]
_chemical_formula_sum '[Mn2 Hg2 Sb2 Cl12]'
_cell_volume [664.3946]
_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  0.0000  0.6647  0.5000  1.0
  Hg  Hg1  2  0.0000  0.9647  0.0000  1.0
  Sb  Sb2  2  0.0000  0.3246  0.5000  1.0
  Cl  Cl3  4  0.1518  0.5331  0.6694  1.0
  Cl  Cl4  4  0.1802  0.8059  0.6584  1.0
  Cl  Cl5  4  0.1954  0.1841  0.6783  1.0
]