data_[Er12Hg2Ge4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7585]
_cell_length_b [4.2093]
_cell_length_c [8.6499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6HgGe2Te3]
_chemical_formula_sum '[Er12 Hg2 Ge4 Te6]'
_cell_volume [656.0632]
_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  0.0069  0.0000  0.2523  1.0
  Er  Er1  4  0.1674  0.5000  0.1026  1.0
  Er  Er2  4  0.1750  0.5000  0.5612  1.0
  Hg  Hg3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1651  0.0000  0.3280  1.0
  Te  Te5  4  0.1655  0.0000  0.8290  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]