data_[Er4Tl6Hg2Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6901]
_cell_length_b [13.3968]
_cell_length_c [8.2589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Tl3HgTe6]
_chemical_formula_sum '[Er4 Tl6 Hg2 Te12]'
_cell_volume [809.9552]
_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  0.0000  0.3330  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1704  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2411  0.8309  0.2182  1.0
  Te  Te5  4  0.2357  0.5000  0.2177  1.0
]