data_[Sr16Ga2Hg4]
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 [20.5667]
_cell_length_b [5.6613]
_cell_length_c [8.0648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8GaHg2]
_chemical_formula_sum '[Sr16 Ga2 Hg4]'
_cell_volume [895.2328]
_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  4  0.0329  0.0000  0.8011  1.0
  Sr  Sr1  4  0.0915  0.5000  0.4411  1.0
  Sr  Sr2  4  0.1666  0.5000  0.9669  1.0
  Sr  Sr3  4  0.2056  0.0000  0.3198  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.1832  0.0000  0.7098  1.0
]