data_[Y16Hg4Bi4C4]
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
  Bi  2.0200  1.6000  1.0350
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.8581]
_cell_length_b [15.6845]
_cell_length_c [6.8461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y4HgBiC]
_chemical_formula_sum '[Y16 Hg4 Bi4 C4]'
_cell_volume [736.3985]
_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  8  0.2500  0.2500  0.0000  1.0
  Y  Y1  4  0.0000  0.0839  0.7500  1.0
  Y  Y2  4  0.0000  0.4064  0.7500  1.0
  Hg  Hg3  4  0.0000  0.1147  0.2500  1.0
  Bi  Bi4  4  0.0000  0.3924  0.2500  1.0
  C  C5  4  0.0000  0.2495  0.7500  1.0
]