data_[Ac4Y2Ho2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9477]
_cell_length_b [7.5387]
_cell_length_c [12.2816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ac2YHoS6]
_chemical_formula_sum '[Ac4 Y2 Ho2 S12]'
_cell_volume [530.7086]
_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
[
  Ac  Ac0  4  0.2195  0.5866  0.7499  1
  Y  Y1  2  0.5000  0.0000  0.0000  1
  Ho  Ho2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.1195  0.6916  0.4359  1
  S  S4  4  0.2508  0.1903  0.4360  1
  S  S5  4  0.3765  0.5437  0.2492  1
]