data_[Ba3Ta6Mn3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.3035]
_cell_length_b [6.3035]
_cell_length_c [23.3437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [BaTa2MnS8]
_chemical_formula_sum '[Ba3 Ta6 Mn3 S24]'
_cell_volume [803.2691]
_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
[
  Ba  Ba0  3  -0.0000  0.0000  0.5000  1.0
  Ta  Ta1  6  0.0000  0.0000  0.2987  1.0
  Mn  Mn2  3  0.0000  0.0000  0.0000  1.0
  S  S3  18  0.0227  0.6202  0.2847  1.0
  S  S4  6  0.0000  0.0000  0.2004  1.0
]