data_[Sr12Ga12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5515]
_cell_length_b [4.8287]
_cell_length_c [15.8398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Ga3Hg]
_chemical_formula_sum '[Sr12 Ga12 Hg4]'
_cell_volume [825.4763]
_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
[
  Sr  Sr0  4  0.0464  0.5000  0.3833  1
  Sr  Sr1  4  0.1092  0.5000  0.9247  1
  Sr  Sr2  4  0.2484  0.5000  0.2280  1
  Ga  Ga3  4  0.0399  0.0000  0.2246  1
  Ga  Ga4  4  0.0940  0.0000  0.0767  1
  Ga  Ga5  4  0.1217  0.0000  0.5399  1
  Hg  Hg6  4  0.2474  0.5000  0.6087  1
]