data_[Ac3Sm6Y3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1745]
_cell_length_b [7.1745]
_cell_length_c [18.8967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [AcSm2YS6]
_chemical_formula_sum '[Ac3 Sm6 Y3 S18]'
_cell_volume [842.3759]
_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  0.1950  1
  Sm  Sm1  3  0.0000  0.0000  0.4784  1
  Sm  Sm2  3  0.0000  0.0000  0.9853  1
  Y  Y3  3  0.0000  0.0000  0.6832  1
  S  S4  9  0.0300  0.3585  0.7488  1
  S  S5  9  0.0312  0.7308  0.5832  1
]