data_[Er14Hg4Te4]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8491]
_cell_length_b [8.3212]
_cell_length_c [7.3722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er7(HgTe)2]
_chemical_formula_sum '[Er14 Hg4 Te4]'
_cell_volume [655.0248]
_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  8  0.2355  0.2021  0.2792  1
  Er  Er1  4  0.0149  0.5000  0.2787  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.0000  0.1811  0.5000  1
  Te  Te4  4  0.2186  0.5000  0.0424  1
]