data_[K4Rb4Mn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1979]
_cell_length_b [14.7274]
_cell_length_c [6.4634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KRbMnS3]
_chemical_formula_sum '[K4 Rb4 Mn4 S12]'
_cell_volume [665.7855]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.0000  0.2387  0.7500  1.0
  K  K1  4  0.0000  0.4051  0.2500  1.0
  Mn  Mn2  4  0.0000  0.0459  0.2500  1.0
  S  S3  8  0.1958  0.9587  0.5058  1.0
  S  S4  4  0.0000  0.1967  0.2500  1.0
]