data_[Sr12Tl4Hg2]
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 [P2_1/c]
_cell_length_a [6.8088]
_cell_length_b [9.9197]
_cell_length_c [12.9892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Tl2Hg]
_chemical_formula_sum '[Sr12 Tl4 Hg2]'
_cell_volume [754.1443]
_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  0.1302  0.5295  0.7173  1.0
  Sr  Sr1  4  0.1641  0.1653  0.5722  1.0
  Sr  Sr2  4  0.4658  0.6769  0.5617  1.0
  Tl  Tl3  4  0.3156  0.6309  0.2525  1.0
  Hg  Hg4  2  0.5000  0.0000  0.5000  1.0
]