data_[Sr2Tl32Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.2107]
_cell_length_b [16.8065]
_cell_length_c [9.9356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sr(Tl4Hg3)4]
_chemical_formula_sum '[Sr2 Tl32 Hg24]'
_cell_volume [1706.1577]
_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  2  0.4183  0.0000  0.7203  1
  Tl  Tl1  4  0.0533  0.3344  0.3973  1
  Tl  Tl2  4  0.1571  0.1513  0.6016  1
  Tl  Tl3  4  0.1808  0.1766  0.0055  1
  Tl  Tl4  4  0.3001  0.3070  0.3180  1
  Tl  Tl5  4  0.4591  0.1488  0.0053  1
  Tl  Tl6  4  0.4806  0.2075  0.6808  1
  Tl  Tl7  2  0.0085  0.0000  0.0038  1
  Tl  Tl8  2  0.1733  0.5000  0.6486  1
  Tl  Tl9  2  0.1758  0.5000  0.2825  1
  Tl  Tl10  2  0.4817  0.5000  0.3471  1
  Hg  Hg11  4  0.2122  0.4084  0.9899  1
  Hg  Hg12  4  0.2675  0.0990  0.3651  1
  Hg  Hg13  4  0.3011  0.3122  0.7944  1
  Hg  Hg14  4  0.4213  0.4088  0.6436  1
  Hg  Hg15  4  0.4908  0.3242  0.1713  1
  Hg  Hg16  2  0.2077  0.0000  0.8425  1
  Hg  Hg17  2  0.3867  0.0000  0.2096  1
]