data_[Rb6Cu2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.0035]
_cell_length_b [11.1527]
_cell_length_c [4.5416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Rb3CuO2]
_chemical_formula_sum '[Rb6 Cu2 O4]'
_cell_volume [304.0847]
_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  0.0781  0.2660  0.5000  1.0
  Rb  Rb1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.0000  1.0
  O  O3  4  0.2201  0.3889  0.0000  1.0
]