data_[Y4Tl4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9149]
_cell_length_b [4.9063]
_cell_length_c [6.6483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YTlHg]
_chemical_formula_sum '[Y4 Tl4 Hg4]'
_cell_volume [316.8359]
_cell_formula_units_Z [4]
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
[
  Y  Y0  2  0.0729  0.0000  0.9727  1.0
  Y  Y1  2  0.2582  0.5000  0.3668  1.0
  Tl  Tl2  2  0.0811  0.0000  0.4756  1.0
  Tl  Tl3  2  0.4137  0.0000  0.6837  1.0
  Hg  Hg4  2  0.2498  0.5000  0.8754  1.0
  Hg  Hg5  2  0.4168  0.0000  0.1782  1.0
]