data_[Ac12As4Rh2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  As  2.1800  1.1500  0.6600
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1350]
_cell_length_b [4.3951]
_cell_length_c [8.9125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6As2RhS3]
_chemical_formula_sum '[Ac12 As4 Rh2 S6]'
_cell_volume [730.7618]
_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  0.0016  0.0000  0.7588  1
  Ac  Ac1  4  0.1613  0.5000  0.0810  1
  Ac  Ac2  4  0.1666  0.5000  0.5855  1
  As  As3  4  0.1655  0.0000  0.3349  1
  Rh  Rh4  2  0.0000  0.5000  0.0000  1
  S  S5  4  0.1701  0.0000  0.8345  1
  S  S6  2  0.0000  0.5000  0.5000  1
]