data_[Na10Sm2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.3193]
_cell_length_b [15.7838]
_cell_length_c [7.4574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Na5SmHg6]
_chemical_formula_sum '[Na10 Sm2 Hg12]'
_cell_volume [626.1134]
_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  4  0.0000  0.3262  0.0000  1
  Na  Na1  4  0.0000  0.3351  0.5000  1
  Na  Na2  2  0.0000  0.0000  0.5000  1
  Sm  Sm3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  8  0.0000  0.1616  0.2581  1
  Hg  Hg5  4  0.0000  0.5000  0.2340  1
]