data_[Mg6Mn3Co9S24]
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
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9978]
_cell_length_b [6.9978]
_cell_length_c [17.0603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mg2MnCo3S8]
_chemical_formula_sum '[Mg6 Mn3 Co9 S24]'
_cell_volume [723.5079]
_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  0.3749  1.0
  Mn  Mn1  3  0.0000  0.0000  0.0000  1.0
  Co  Co2  9  0.0000  0.5000  0.5000  1.0
  S  S3  18  0.0444  0.5222  0.7580  1.0
  S  S4  6  0.0000  0.0000  0.2315  1.0
]