data_[Ho16Si4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [8.8518]
_cell_length_b [8.8518]
_cell_length_c [7.9379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Ho4SiC]
_chemical_formula_sum '[Ho16 Si4 C4]'
_cell_volume [621.9682]
_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  0.0000  0.2914  0.2739  1
  Ho  Ho1  8  0.0000  0.3106  0.7233  1
  Si  Si2  4  0.0000  0.0000  0.7581  1
  C  C3  4  0.0000  0.0000  0.2477  1
]