data_[Na4Hg2Sb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.0056]
_cell_length_b [3.2509]
_cell_length_c [11.0279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na4Hg2Sb5]
_chemical_formula_sum '[Na4 Hg2 Sb5]'
_cell_volume [309.1529]
_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  2  0.1761  0.5000  0.9457  1
  Na  Na1  2  0.2822  0.5000  0.4734  1
  Hg  Hg2  2  0.1015  0.0000  0.6462  1
  Sb  Sb3  2  0.1545  0.0000  0.2084  1
  Sb  Sb4  2  0.4950  0.0000  0.2770  1
  Sb  Sb5  1  0.5000  0.0000  0.0000  1
]