data_[Er16Si4Hg4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7760]
_cell_length_b [14.4863]
_cell_length_c [6.7557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er4SiHgC]
_chemical_formula_sum '[Er16 Si4 Hg4 C4]'
_cell_volume [663.1309]
_cell_formula_units_Z [4]
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  0.2500  0.2500  0.0000  1.0
  Er  Er1  4  0.0000  0.0830  0.7500  1.0
  Er  Er2  4  0.0000  0.4211  0.7500  1.0
  Si  Si3  4  0.0000  0.3752  0.2500  1.0
  Hg  Hg4  4  0.0000  0.1154  0.2500  1.0
  C  C5  4  0.0000  0.2520  0.7500  1.0
]