data_[Ac4Ge1Bi1S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7432]
_cell_length_b [4.5770]
_cell_length_c [7.9952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9036]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4GeBiS2]
_chemical_formula_sum '[Ac4 Ge1 Bi1 S2]'
_cell_volume [266.4292]
_cell_formula_units_Z [1]
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  0.2550  0.5000  0.2411  1
  Ac  Ac1  2  0.2622  0.0000  0.7675  1
  Ge  Ge2  1  0.0000  0.0000  0.0000  1
  Bi  Bi3  1  0.0000  0.5000  0.5000  1
  S  S4  1  0.5000  0.0000  0.5000  1
  S  S5  1  0.5000  0.5000  0.0000  1
]