data_[Er16Cu2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6794]
_cell_length_b [5.1166]
_cell_length_c [6.7476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8CuHg2]
_chemical_formula_sum '[Er16 Cu2 Hg4]'
_cell_volume [591.0423]
_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  0.0235  0.0000  0.7767  1.0
  Er  Er1  4  0.0898  0.5000  0.4455  1.0
  Er  Er2  4  0.1565  0.5000  0.9666  1.0
  Er  Er3  4  0.2010  0.0000  0.3098  1.0
  Cu  Cu4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.1887  0.0000  0.7325  1.0
]