data_[Er16Mg2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7752]
_cell_length_b [14.5347]
_cell_length_c [5.4403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8MgHg2]
_chemical_formula_sum '[Er16 Mg2 Hg4]'
_cell_volume [646.4370]
_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  0.2103  0.1159  0.1071  1
  Er  Er1  4  0.0000  0.2234  0.5000  1
  Er  Er2  4  0.1028  0.5000  0.3028  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Hg  Hg4  4  0.0000  0.3050  0.0000  1
]