data_[Ac4Bi2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0391]
_cell_length_b [4.6063]
_cell_length_c [7.5830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2BiS4]
_chemical_formula_sum '[Ac4 Bi2 S8]'
_cell_volume [430.5638]
_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  0.2094  0.5000  0.7061  1
  Bi  Bi1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.1181  0.0000  0.4253  1
  S  S3  4  0.1429  0.5000  0.0245  1
]