data_[Rb2Ti2Cu2Se6]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8822]
_cell_length_b [3.8122]
_cell_length_c [9.8491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbTiCuSe3]
_chemical_formula_sum '[Rb2 Ti2 Cu2 Se6]'
_cell_volume [302.0038]
_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  2  0.2393  0.7500  0.2606  1
  Ti  Ti1  2  0.3086  0.2500  0.8350  1
  Cu  Cu2  2  0.0822  0.7500  0.6022  1
  Se  Se3  2  0.1216  0.7500  0.8595  1
  Se  Se4  2  0.2308  0.2500  0.5579  1
  Se  Se5  2  0.4739  0.2500  0.1327  1
]