data_[Ba8U6Mn2S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  U  1.3800  1.7500  0.9913
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [10.3046]
_cell_length_b [10.3046]
_cell_length_c [10.3046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Ba4U3MnS12]
_chemical_formula_sum '[Ba8 U6 Mn2 S24]'
_cell_volume [1094.2047]
_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
[
  Ba  Ba0  8  0.2500  0.2500  0.2500  1
  U  U1  6  0.0000  0.0000  0.5000  1
  Mn  Mn2  2  0.0000  0.0000  0.0000  1
  S  S3  12  0.0000  0.0000  0.2483  1
  S  S4  12  0.0000  0.2500  0.5000  1
]