data_[Li2Mn2Hg2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.5028]
_cell_length_b [6.5028]
_cell_length_c [10.8415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiMnHgCl6]
_chemical_formula_sum '[Li2 Mn2 Hg2 Cl12]'
_cell_volume [458.4506]
_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
[
  Li  Li0  2  0.0000  0.0000  0.3375  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0059  1.0
  Hg  Hg2  2  0.0000  0.0000  0.6545  1.0
  Cl  Cl3  4  0.1705  0.8295  0.1564  1.0
  Cl  Cl4  4  0.1747  0.8253  0.8535  1.0
  Cl  Cl5  4  0.1993  0.8007  0.4912  1.0
]