data_[Sc24Hg8C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [9.5065]
_cell_length_b [13.5418]
_cell_length_c [5.8812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sc3HgC]
_chemical_formula_sum '[Sc24 Hg8 C8]'
_cell_volume [757.1166]
_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
[
  Sc  Sc0  8  0.0000  0.0450  0.2416  1
  Sc  Sc1  8  0.0000  0.2457  0.5061  1
  Sc  Sc2  8  0.2500  0.1111  0.7500  1
  Hg  Hg3  8  0.2500  0.1635  0.2500  1
  C  C4  8  0.0000  0.1153  0.7653  1
]