data_[Sr24Ga8Hg8]
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/c]
_cell_length_a [11.9999]
_cell_length_b [12.5158]
_cell_length_c [9.8094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr3GaHg]
_chemical_formula_sum '[Sr24 Ga8 Hg8]'
_cell_volume [1473.2559]
_cell_formula_units_Z [8]
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  8  0.0564  0.1249  0.9249  1.0
  Sr  Sr1  8  0.0948  0.4028  0.0824  1.0
  Sr  Sr2  8  0.2454  0.1779  0.3223  1.0
  Ga  Ga3  4  0.0000  0.1074  0.2500  1.0
  Ga  Ga4  4  0.0000  0.3730  0.7500  1.0
  Hg  Hg5  8  0.2194  0.0480  0.6340  1.0
]