data_[Na1Mn1Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P-1]
_cell_length_a [6.6291]
_cell_length_b [6.9735]
_cell_length_c [8.1665]
_cell_angle_alpha [104.7526]
_cell_angle_beta [93.8558]
_cell_angle_gamma [102.9948]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaMn(HgCl4)2]
_chemical_formula_sum '[Na1 Mn1 Hg2 Cl8]'
_cell_volume [352.6050]
_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
[
  Na  Na0  1  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.4780  0.7184  0.6973  1.0
  Cl  Cl3  2  0.1222  0.7736  0.7184  1.0
  Cl  Cl4  2  0.1657  0.8664  0.1763  1.0
  Cl  Cl5  2  0.2932  0.2700  0.0337  1.0
  Cl  Cl6  2  0.3938  0.2839  0.5859  1.0
]