data_[Ho6Hf3Mn3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6343]
_cell_length_b [6.6343]
_cell_length_c [17.8087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ho2HfMnS6]
_chemical_formula_sum '[Ho6 Hf3 Mn3 S18]'
_cell_volume [678.8243]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0205  1.0
  Ho  Ho1  3  0.0000  0.0000  0.5168  1.0
  Hf  Hf2  3  0.0000  0.0000  0.8221  1.0
  Mn  Mn3  3  0.0000  0.0000  0.3156  1.0
  S  S4  9  0.0087  0.6305  0.0809  1.0
  S  S5  9  0.0193  0.3767  0.5813  1.0
]