data_[Mn2Sn1Hg1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1758]
_cell_length_b [7.8375]
_cell_length_c [6.4754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mn2SnHgCl8]
_chemical_formula_sum '[Mn2 Sn1 Hg1 Cl8]'
_cell_volume [313.4214]
_cell_formula_units_Z [1]
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  0.5000  0.2439  0.5000  1.0
  Sn  Sn1  1  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2494  0.2391  0.1831  1.0
  Cl  Cl4  2  0.2824  0.0000  0.6546  1.0
  Cl  Cl5  2  0.2911  0.5000  0.6512  1.0
]