data_[Rb2V2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  V  1.6300  1.3500  0.7775
  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 [8.6795]
_cell_length_b [3.7760]
_cell_length_c [9.7963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbVCuSe3]
_chemical_formula_sum '[Rb2 V2 Cu2 Se6]'
_cell_volume [289.1059]
_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  0.2451  0.2500  0.2595  1.0
  V  V1  2  0.3044  0.7500  0.8331  1.0
  Cu  Cu2  2  0.0822  0.2500  0.6032  1.0
  Se  Se3  2  0.1232  0.2500  0.8588  1.0
  Se  Se4  2  0.2368  0.7500  0.5621  1.0
  Se  Se5  2  0.4767  0.7500  0.1257  1.0
]