data_[Rb4Tm4Ti2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tm  1.2500  1.7500  1.0950
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6622]
_cell_length_b [11.4341]
_cell_length_c [8.1782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Tm2TiS6]
_chemical_formula_sum '[Rb4 Tm4 Ti2 S12]'
_cell_volume [597.6087]
_cell_formula_units_Z [2]
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  0.1710  0.0000  1.0
  Tm  Tm1  4  0.0000  0.3330  0.5000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2185  0.1543  0.6819  1.0
  S  S4  4  0.2449  0.0000  0.3199  1.0
]