data_[Mg6Mn9Al3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2922]
_cell_length_b [7.2922]
_cell_length_c [17.7534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mg2Mn3AlS8]
_chemical_formula_sum '[Mg6 Mn9 Al3 S24]'
_cell_volume [817.5681]
_cell_formula_units_Z [3]
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
[
  Mg  Mg0  6  0.0000  0.0000  0.1249  1.0
  Mn  Mn1  9  0.0000  0.5000  0.0000  1.0
  Al  Al2  3  -0.0000  -0.0000  0.5000  1.0
  S  S3  18  0.0336  0.5168  0.2528  1.0
  S  S4  6  0.0000  0.0000  0.2615  1.0
]