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 [C2/m]
_cell_length_a [15.0778]
_cell_length_b [3.8054]
_cell_length_c [8.9225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3HgC]
_chemical_formula_sum '[Y12 Hg4 C4]'
_cell_volume [511.0657]
_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  0.0356  0.5000  0.7728  1
  Y  Y1  4  0.1352  0.0000  0.4547  1
  Y  Y2  4  0.2407  0.0000  0.8399  1
  Hg  Hg3  4  0.0917  0.0000  0.0793  1
  C  C4  4  0.1633  0.5000  0.9297  1
]