data_[Y8Tl8Hg4]
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 [C2/m]
_cell_length_a [11.5069]
_cell_length_b [4.7949]
_cell_length_c [11.0451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5378]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Tl2Hg]
_chemical_formula_sum '[Y8 Tl8 Hg4]'
_cell_volume [549.8656]
_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  4  0.0161  0.0000  0.3240  1.0
  Y  Y1  4  0.1746  0.0000  0.0921  1.0
  Tl  Tl2  4  0.0430  0.5000  0.8858  1.0
  Tl  Tl3  4  0.1476  0.5000  0.5431  1.0
  Hg  Hg4  4  0.2347  0.5000  0.2955  1.0
]