data_[Er4Tl2Hg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.9062]
_cell_length_b [13.0603]
_cell_length_c [4.3883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Er2TlHg5]
_chemical_formula_sum '[Er4 Tl2 Hg10]'
_cell_volume [395.8135]
_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
[
  Er  Er0  4  0.2439  0.1265  0.5000  1.0
  Tl  Tl1  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg2  4  0.0056  0.7504  0.0000  1.0
  Hg  Hg3  4  0.2464  0.8732  0.5000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.0000  1.0
]