data_[Ho12C2Se6S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7697]
_cell_length_b [11.6506]
_cell_length_c [6.9138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6CSe3S2]
_chemical_formula_sum '[Ho12 C2 Se6 S4]'
_cell_volume [516.0463]
_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  0.2243  0.1536  0.2138  1.0
  Ho  Ho1  4  0.2334  0.0000  0.7829  1.0
  Se  Se2  4  0.0000  0.1725  0.5000  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.0000  0.3344  0.0000  1.0
]