data_[Ac3Ho12Er3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.1321]
_cell_length_b [8.1321]
_cell_length_c [19.8908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [AcHo4ErS8]
_chemical_formula_sum '[Ac3 Ho12 Er3 S24]'
_cell_volume [1139.1737]
_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
[
  Ac  Ac0  3  0.0000  0.0000  0.6249  1
  Ho  Ho1  9  0.1697  0.3393  0.8326  1
  Ho  Ho2  3  0.0000  0.0000  0.3753  1
  Er  Er3  3  0.0000  0.0000  0.0021  1
  S  S4  9  0.0179  0.5090  0.7516  1
  S  S5  9  0.1879  0.8121  0.5784  1
  S  S6  3  0.0000  0.0000  0.2439  1
  S  S7  3  0.0000  0.0000  0.7657  1
]