data_[Ac4Ti2Rh2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ti  1.5400  1.4000  0.8517
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.5970]
_cell_length_b [9.2873]
_cell_length_c [7.1894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ac2TiRhS6]
_chemical_formula_sum '[Ac4 Ti2 Rh2 S12]'
_cell_volume [440.4861]
_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  0.0000  0.2533  0.7990  1
  Ti  Ti1  2  0.0000  0.0000  0.3012  1
  Rh  Rh2  2  0.0000  0.5000  0.2535  1
  S  S3  4  0.0000  0.2459  0.2103  1
  S  S4  4  0.2346  0.5000  0.5044  1
  S  S5  4  0.2480  0.0000  0.9876  1
]