data_[Ac6Sm2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.3714]
_cell_length_b [8.4126]
_cell_length_c [7.3420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Ac3SmS4]
_chemical_formula_sum '[Ac6 Sm2 S8]'
_cell_volume [429.5678]
_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  2  0.0000  0.3734  0.7500  1
  Ac  Ac1  2  0.5000  0.1242  0.7500  1
  Ac  Ac2  2  0.5000  0.3739  0.2500  1
  Sm  Sm3  2  0.0000  0.1235  0.2500  1
  S  S4  4  0.2361  0.1177  0.9999  1
  S  S5  4  0.2418  0.3676  0.4922  1
]