data_[Na1Mn2Hg1Cl8]
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-3]
_cell_length_a [6.7385]
_cell_length_b [6.7385]
_cell_length_c [8.8163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [NaMn2HgCl8]
_chemical_formula_sum '[Na1 Mn2 Hg1 Cl8]'
_cell_volume [346.6945]
_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  0.0000  1
  Mn  Mn1  2  0.3333  0.6667  0.7526  1
  Hg  Hg2  1  0.0000  0.0000  0.5000  1
  Cl  Cl3  6  0.0144  0.3191  0.6928  1
  Cl  Cl4  2  0.3333  0.6667  0.0024  1
]