data_[Ho12Ge2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8075]
_cell_length_b [11.7796]
_cell_length_c [6.8258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6GeS5]
_chemical_formula_sum '[Ho12 Ge2 S10]'
_cell_volume [516.5763]
_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  0.2498  0.1668  0.2503  1
  Ho  Ho1  4  0.2496  0.5000  0.2496  1
  Ge  Ge2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.0000  0.1663  0.5000  1
  S  S4  4  0.0000  0.3330  0.0000  1
  S  S5  2  0.0000  0.5000  0.5000  1
]