data_[Na4Mg4In4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4321]
_cell_length_b [13.2188]
_cell_length_c [10.2682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaMgInHg3]
_chemical_formula_sum '[Na4 Mg4 In4 Hg12]'
_cell_volume [601.5807]
_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  0.1935  0.2500  1.0
  Mg  Mg1  4  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.0000  0.4948  0.7500  1.0
  Hg  Hg3  8  0.0000  0.3369  0.5195  1.0
  Hg  Hg4  4  0.0000  0.1456  0.7500  1.0
]