data_[Na3Ho12Sc3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0436]
_cell_length_b [8.0436]
_cell_length_c [19.3019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaHo4ScS8]
_chemical_formula_sum '[Na3 Ho12 Sc3 S24]'
_cell_volume [1081.5127]
_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
[
  Na  Na0  3  0.0000  0.0000  0.3779  1.0
  Ho  Ho1  9  0.1724  0.3447  0.8322  1.0
  Ho  Ho2  3  0.0000  0.0000  0.6233  1.0
  Sc  Sc3  3  0.0000  0.0000  0.0068  1.0
  S  S4  9  0.0370  0.5185  0.7495  1.0
  S  S5  9  0.1803  0.3606  0.5830  1.0
  S  S6  3  0.0000  0.0000  0.2400  1.0
  S  S7  3  0.0000  0.0000  0.7578  1.0
]