data_[Sr14Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [11.4815]
_cell_length_b [11.4815]
_cell_length_c [7.4029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Sr7Hg3]
_chemical_formula_sum '[Sr14 Hg6]'
_cell_volume [845.1376]
_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
[
  Sr  Sr0  6  0.0827  0.5414  0.8629  1
  Sr  Sr1  6  0.1246  0.2491  0.5678  1
  Sr  Sr2  2  0.3333  0.6667  0.3705  1
  Hg  Hg3  6  0.1899  0.3798  0.1431  1
]