data_[Ba2Hg2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3913]
_cell_length_b [4.6848]
_cell_length_c [9.8453]
_cell_angle_alpha [99.5728]
_cell_angle_beta [91.1103]
_cell_angle_gamma [116.0991]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaHgC]
_chemical_formula_sum '[Ba2 Hg2 C2]'
_cell_volume [178.3746]
_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
[
  Ba  Ba0  2  0.0853  0.6917  0.8170  1
  Hg  Hg1  2  0.3535  0.2115  0.5667  1
  C  C2  2  0.4182  0.3539  0.9670  1
]