data_[Ba4Gd2Cu8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Gd  1.2000  1.8000  1.0750
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.9148]
_cell_length_b [27.3971]
_cell_length_c [3.8996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba2Gd(CuO2)4]
_chemical_formula_sum '[Ba4 Gd2 Cu8 O16]'
_cell_volume [418.2446]
_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  0.3646  0.5000  1.0
  Gd  Gd1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0000  0.0616  0.0000  1.0
  Cu  Cu3  4  0.0000  0.2126  0.0000  1.0
  O  O4  4  0.0000  0.0526  0.5000  1.0
  O  O5  4  0.0000  0.1452  0.0000  1.0
  O  O6  4  0.0000  0.2819  0.0000  1.0
  O  O7  4  0.0000  0.4474  0.0000  1.0
]