data_[Na24Sn4Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7019]
_cell_length_b [10.6741]
_cell_length_c [8.4550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na12Sn2Hg5]
_chemical_formula_sum '[Na24 Sn4 Hg10]'
_cell_volume [1121.2300]
_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
[
  Na  Na0  8  0.1079  0.2638  0.3886  1.0
  Na  Na1  8  0.1768  0.1728  0.8076  1.0
  Na  Na2  4  0.1005  0.0000  0.1557  1.0
  Na  Na3  4  0.1026  0.5000  0.7536  1.0
  Sn  Sn4  4  0.0000  0.2722  0.0000  1.0
  Hg  Hg5  4  0.1237  0.5000  0.1447  1.0
  Hg  Hg6  4  0.2430  0.0000  0.5043  1.0
  Hg  Hg7  2  0.0000  0.0000  0.5000  1.0
]