data_[Er4Tl5Hg2]
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 [P2/m]
_cell_length_a [8.2940]
_cell_length_b [3.6017]
_cell_length_c [9.9447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er4Tl5Hg2]
_chemical_formula_sum '[Er4 Tl5 Hg2]'
_cell_volume [297.0287]
_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
[
  Er  Er0  2  0.2198  0.5000  0.8621  1.0
  Er  Er1  2  0.2328  0.5000  0.3986  1.0
  Tl  Tl2  2  0.1350  0.0000  0.1264  1.0
  Tl  Tl3  2  0.4603  0.0000  0.6611  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Hg  Hg5  2  0.0885  0.0000  0.6300  1.0
]