data_[Na4Sr4Hg12]
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 [C2/m]
_cell_length_a [11.8696]
_cell_length_b [4.8270]
_cell_length_c [11.0570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.4190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSrHg3]
_chemical_formula_sum '[Na4 Sr4 Hg12]'
_cell_volume [628.2036]
_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  0.1991  0.0000  0.8707  1.0
  Sr  Sr1  4  0.0645  0.5000  0.3388  1.0
  Hg  Hg2  4  0.0744  0.0000  0.1146  1.0
  Hg  Hg3  4  0.1219  0.0000  0.5669  1.0
  Hg  Hg4  4  0.2356  0.5000  0.6760  1.0
]