data_[Y12Hg4C2]
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 [6.9294]
_cell_length_b [6.9584]
_cell_length_c [12.0044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Y6Hg2C]
_chemical_formula_sum '[Y12 Hg4 C2]'
_cell_volume [473.3006]
_cell_formula_units_Z [2]
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  0.2000  0.7321  0.9568  1
  Y  Y1  4  0.2274  0.2423  0.9572  1
  Y  Y2  4  0.3400  0.5060  0.7568  1
  Hg  Hg3  4  0.2386  0.5163  0.2506  1
  C  C4  2  0.5000  0.0000  0.5000  1
]