data_[Ac4Sb4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3027]
_cell_length_b [4.9541]
_cell_length_c [10.2285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcSbS]
_chemical_formula_sum '[Ac4 Sb4 S4]'
_cell_volume [420.4598]
_cell_formula_units_Z [4]
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  0.1529  0.7500  0.3662  1
  Ac  Ac1  2  0.2013  0.7500  0.8966  1
  Sb  Sb2  2  0.4164  0.2500  0.5585  1
  Sb  Sb3  2  0.4965  0.7500  0.1706  1
  S  S4  2  0.0141  0.2500  0.8842  1
  S  S5  2  0.0375  0.7500  0.6344  1
]