data_[Ba4Yb2Cu8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Yb  1.1000  1.7500  1.0840
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8324]
_cell_length_b [27.8940]
_cell_length_c [3.8642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba2Yb(CuO2)4]
_chemical_formula_sum '[Ba4 Yb2 Cu8 O16]'
_cell_volume [413.0861]
_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
[
  Ba  Ba0  4  0.0000  0.3696  0.5000  1.0
  Yb  Yb1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0000  0.0572  0.0000  1.0
  Cu  Cu3  4  0.0000  0.2122  0.0000  1.0
  O  O4  4  0.0000  0.0535  0.5000  1.0
  O  O5  4  0.0000  0.1467  0.0000  1.0
  O  O6  4  0.0000  0.2799  0.0000  1.0
  O  O7  4  0.0000  0.4471  0.0000  1.0
]