data_[Er8Mg2Hg14]
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 [12.7980]
_cell_length_b [5.2895]
_cell_length_c [10.7092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er4MgHg7]
_chemical_formula_sum '[Er8 Mg2 Hg14]'
_cell_volume [622.5868]
_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  0.0796  0.5000  0.7768  1
  Er  Er1  4  0.2338  0.5000  0.3160  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Hg  Hg3  4  0.0753  0.0000  0.3412  1
  Hg  Hg4  4  0.1388  0.5000  0.5356  1
  Hg  Hg5  4  0.1965  0.0000  0.9185  1
  Hg  Hg6  2  0.0000  0.5000  0.0000  1
]