data_[Li2Cu2Bi2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4993]
_cell_length_b [3.7683]
_cell_length_c [6.9939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCuBiO3]
_chemical_formula_sum '[Li2 Cu2 Bi2 O6]'
_cell_volume [168.2121]
_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
[
  Li  Li0  2  0.3630  0.2500  0.1290  1
  Cu  Cu1  2  0.4302  0.2500  0.6177  1
  Bi  Bi2  2  0.0903  0.7500  0.8056  1
  O  O3  2  0.1584  0.7500  0.1153  1
  O  O4  2  0.2999  0.2500  0.8442  1
  O  O5  2  0.4452  0.7500  0.6162  1
]