data_[Er16Hg2C8]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3570]
_cell_length_b [3.6135]
_cell_length_c [12.0946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.5341]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8HgC4]
_chemical_formula_sum '[Er16 Hg2 C8]'
_cell_volume [549.9398]
_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  0.0438  0.5000  0.7180  1
  Er  Er1  4  0.1453  0.0000  0.6017  1
  Er  Er2  4  0.1549  0.0000  0.3350  1
  Er  Er3  4  0.1915  0.0000  0.0490  1
  Hg  Hg4  2  0.0000  0.5000  0.0000  1
  C  C5  4  0.1522  0.5000  0.4714  1
  C  C6  4  0.1740  0.0000  0.8314  1
]