data_[Na4Sr4Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.1550]
_cell_length_b [16.8047]
_cell_length_c [8.1677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaSrHg4]
_chemical_formula_sum '[Na4 Sr4 Hg16]'
_cell_volume [707.5580]
_cell_formula_units_Z [4]
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  0.1537  0.2500  1
  Sr  Sr1  4  0.0000  0.3769  0.2500  1
  Hg  Hg2  8  0.0000  0.2374  0.5763  1
  Hg  Hg3  4  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.0000  0.4330  0.7500  1
]