data_[Ho8Hg2Bi2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [I4mm]
_cell_length_a [4.8261]
_cell_length_b [4.8261]
_cell_length_c [15.5816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ho4HgBiC]
_chemical_formula_sum '[Ho8 Hg2 Bi2 C2]'
_cell_volume [362.9187]
_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
[
  Ho  Ho0  4  0.0000  0.5000  0.4950  1.0
  Ho  Ho1  2  0.0000  0.0000  0.1621  1.0
  Ho  Ho2  2  0.0000  0.0000  0.8425  1.0
  Hg  Hg3  2  0.0000  0.0000  0.3626  1.0
  Bi  Bi4  2  0.0000  0.0000  0.6394  1.0
  C  C5  2  0.0000  0.0000  0.0034  1.0
]