data_[Ho16Tl4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1038]
_cell_length_b [6.0707]
_cell_length_c [6.8655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ho4TlC]
_chemical_formula_sum '[Ho16 Tl4 C4]'
_cell_volume [604.0982]
_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
[
  Ho  Ho0  8  0.1020  0.4143  0.4444  1
  Ho  Ho1  8  0.1922  0.0681  0.1633  1
  Tl  Tl2  4  0.0000  0.0958  0.7500  1
  C  C3  4  0.2500  0.2500  0.5000  1
]