data_[Y4Tl5Hg2]
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 [P2/m]
_cell_length_a [8.3431]
_cell_length_b [3.6143]
_cell_length_c [9.9893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Y4Tl5Hg2]
_chemical_formula_sum '[Y4 Tl5 Hg2]'
_cell_volume [301.1726]
_cell_formula_units_Z [1]
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  0.2190  0.5000  0.8620  1.0
  Y  Y1  2  0.2326  0.5000  0.3993  1.0
  Tl  Tl2  2  0.1350  0.0000  0.1261  1.0
  Tl  Tl3  2  0.4563  0.0000  0.6601  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Hg  Hg5  2  0.0870  0.0000  0.6298  1.0
]