data_[K3Ho12Th3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1533]
_cell_length_b [8.1533]
_cell_length_c [20.4303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KHo4ThS8]
_chemical_formula_sum '[K3 Ho12 Th3 S24]'
_cell_volume [1176.1798]
_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
[
  K  K0  3  0.0000  0.0000  0.6288  1
  Ho  Ho1  9  0.0095  0.5048  0.5010  1
  Ho  Ho2  3  0.0000  0.0000  0.3722  1
  Th  Th3  3  0.0000  0.0000  0.9966  1
  S  S4  9  0.0162  0.5081  0.7539  1
  S  S5  9  0.1870  0.3739  0.5762  1
  S  S6  3  0.0000  0.0000  0.2414  1
  S  S7  3  0.0000  0.0000  0.7677  1
]