data_[Rb4Mn4Nb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5963]
_cell_length_b [15.4557]
_cell_length_c [9.5582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbMnNbS3]
_chemical_formula_sum '[Rb4 Mn4 Nb4 S12]'
_cell_volume [531.2784]
_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  0.2533  0.2500  1.0
  Mn  Mn1  4  0.0000  0.4708  0.7500  1.0
  Nb  Nb2  4  0.0000  0.0000  0.0000  1.0
  S  S3  8  0.0000  0.3870  0.5533  1.0
  S  S4  4  0.0000  0.0664  0.7500  1.0
]