data_[Ac4Sm4Se4S6]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.2421]
_cell_length_b [5.2421]
_cell_length_c [19.1475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ac2Sm2Se2S3]
_chemical_formula_sum '[Ac4 Sm4 Se4 S6]'
_cell_volume [526.1605]
_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  0.0000  0.1807  1
  Sm  Sm1  4  0.0000  0.5000  0.0000  1
  Se  Se2  4  0.0000  0.0000  0.4056  1
  S  S3  4  0.0000  0.5000  0.2500  1
  S  S4  2  0.0000  0.0000  0.0000  1
]