data_[Ho16As4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0265]
_cell_length_b [7.2284]
_cell_length_c [6.3270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho8As2C3]
_chemical_formula_sum '[Ho16 As4 C6]'
_cell_volume [611.7198]
_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  8  0.1015  0.2390  0.3952  1.0
  Ho  Ho1  4  0.0976  0.0000  0.9017  1.0
  Ho  Ho2  4  0.0991  0.5000  0.9101  1.0
  As  As3  4  0.2455  0.5000  0.6749  1.0
  C  C4  4  0.0000  0.2544  0.0000  1.0
  C  C5  2  0.0000  0.0000  0.5000  1.0
]