data_[Ba4Y8Cu4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.1622]
_cell_length_b [5.6643]
_cell_length_c [7.1365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaY2CuO5]
_chemical_formula_sum '[Ba4 Y8 Cu4 O20]'
_cell_volume [491.6315]
_cell_formula_units_Z [4]
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  0.0954  0.7500  0.9291  1
  Y  Y1  4  0.0743  0.2500  0.6027  1
  Y  Y2  4  0.2117  0.7500  0.3836  1
  Cu  Cu3  4  0.1596  0.2500  0.2123  1
  O  O4  8  0.0670  0.0078  0.3337  1
  O  O5  8  0.2278  0.5044  0.6433  1
  O  O6  4  0.1001  0.2500  0.9183  1
]