data_[Ho12Te2C6S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0161]
_cell_length_b [3.7380]
_cell_length_c [7.8451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0706]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6TeC3S2]
_chemical_formula_sum '[Ho12 Te2 C6 S4]'
_cell_volume [477.0108]
_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  0.0117  0.0000  0.7138  1.0
  Ho  Ho1  4  0.1603  0.5000  0.6039  1.0
  Ho  Ho2  4  0.1814  0.5000  0.0635  1.0
  Te  Te3  2  0.0000  0.5000  0.0000  1.0
  C  C4  4  0.1684  0.0000  0.8290  1.0
  C  C5  2  0.0000  0.5000  0.5000  1.0
  S  S6  4  0.1672  0.0000  0.3335  1.0
]