data_[Ac8Mg4Mn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1230]
_cell_length_b [17.0656]
_cell_length_c [11.8961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2MgMnS5]
_chemical_formula_sum '[Ac8 Mg4 Mn4 S20]'
_cell_volume [837.0309]
_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  4  0.0000  0.1151  0.6892  1
  Ac  Ac1  4  0.0000  0.1321  0.3054  1
  Mg  Mg2  4  0.0000  0.2053  0.0146  1
  Mn  Mn3  4  0.0000  0.4409  0.4565  1
  S  S4  4  0.0000  0.0512  0.0552  1
  S  S5  4  0.0000  0.2898  0.6598  1
  S  S6  4  0.0000  0.3115  0.3633  1
  S  S7  4  0.0000  0.3539  0.0022  1
  S  S8  4  0.0000  0.4975  0.7779  1
]