data_[Sr4Tl4Hg6]
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 [11.9615]
_cell_length_b [5.0301]
_cell_length_c [7.5663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Tl2Hg3]
_chemical_formula_sum '[Sr4 Tl4 Hg6]'
_cell_volume [428.1642]
_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  0.1412  0.0000  0.7553  1
  Tl  Tl1  4  0.1543  0.0000  0.2269  1
  Hg  Hg2  4  0.1010  0.5000  0.4301  1
  Hg  Hg3  2  0.0000  0.5000  0.0000  1
]