data_[Y8Hg4C2]
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/m]
_cell_length_a [6.4243]
_cell_length_b [6.6732]
_cell_length_c [9.2029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y4Hg2C]
_chemical_formula_sum '[Y8 Hg4 C2]'
_cell_volume [371.9754]
_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  0.2257  0.5031  0.7287  1
  Y  Y1  2  0.1650  0.7500  0.0771  1
  Y  Y2  2  0.2976  0.2500  0.3540  1
  Hg  Hg3  2  0.2170  0.7500  0.4253  1
  Hg  Hg4  2  0.3749  0.2500  0.0349  1
  C  C5  2  0.0537  0.7500  0.8159  1
]