data_[Ba3Mn3Cr6S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.9643]
_cell_length_b [5.9643]
_cell_length_c [25.8710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [BaMn(CrS4)2]
_chemical_formula_sum '[Ba3 Mn3 Cr6 S24]'
_cell_volume [797.0125]
_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
  Mn  Mn1  3  0.0000  0.0000  0.0000  1
  Cr  Cr2  6  0.0000  0.0000  0.2512  1
  S  S3  18  0.0000  0.6680  0.2782  1
  S  S4  6  0.0000  0.0000  0.1708  1
]