data_[Y12Hg4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.8551]
_cell_length_b [6.3795]
_cell_length_c [9.2649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y3HgC]
_chemical_formula_sum '[Y12 Hg4 C4]'
_cell_volume [475.0828]
_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
[
  Y  Y0  4  0.0733  0.0715  0.3597  1.0
  Y  Y1  4  0.1937  0.5777  0.5510  1.0
  Y  Y2  4  0.3587  0.1157  0.7613  1.0
  Hg  Hg3  4  0.4073  0.6786  0.9115  1.0
  C  C4  4  0.0788  0.2495  0.6089  1.0
]