data_[Zr24Hg8C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4734]
_cell_length_b [12.7852]
_cell_length_c [5.7473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr3HgC]
_chemical_formula_sum '[Zr24 Hg8 C8]'
_cell_volume [774.3631]
_cell_formula_units_Z [8]
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
[
  Zr  Zr0  8  0.1134  0.3294  0.5041  1.0
  Zr  Zr1  8  0.1183  0.0680  0.5108  1.0
  Zr  Zr2  8  0.1229  0.1937  0.0169  1.0
  Hg  Hg3  8  0.1403  0.4332  0.0104  1.0
  C  C4  4  0.0000  0.0638  0.7500  1.0
  C  C5  4  0.0000  0.1979  0.2500  1.0
]