data_[Sr6Tl8Hg4]
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 [C2/m]
_cell_length_a [12.1101]
_cell_length_b [5.2127]
_cell_length_c [9.9402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(Tl2Hg)2]
_chemical_formula_sum '[Sr6 Tl8 Hg4]'
_cell_volume [573.1235]
_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  0.1751  0.5000  0.6520  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0262  0.0000  0.3603  1.0
  Tl  Tl3  4  0.2466  0.5000  0.0834  1.0
  Hg  Hg4  4  0.1012  0.5000  0.2703  1.0
]