data_[Rb4Na4Ti4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1950]
_cell_length_b [13.3219]
_cell_length_c [6.7128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbNaTiS3]
_chemical_formula_sum '[Rb4 Na4 Ti4 S12]'
_cell_volume [643.4312]
_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  0.2460  0.7500  1.0
  Na  Na1  4  0.0000  0.4263  0.2500  1.0
  Ti  Ti2  4  0.0000  0.0535  0.2500  1.0
  S  S3  8  0.2212  0.0000  0.0000  1.0
  S  S4  4  0.0000  0.2199  0.2500  1.0
]