data_[Rb6Ti2Cr4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7777]
_cell_length_b [11.7734]
_cell_length_c [8.0683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Ti(CrSe3)2]
_chemical_formula_sum '[Rb6 Ti2 Cr4 Se12]'
_cell_volume [618.1834]
_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  0.1653  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr3  4  0.0000  0.3334  0.0000  1.0
  Se  Se4  8  0.2266  0.8310  0.1729  1.0
  Se  Se5  4  0.2198  0.5000  0.1723  1.0
]