data_[Ba2Cu2B4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.5321]
_cell_length_b [9.2547]
_cell_length_c [4.1128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaCuB2O5]
_chemical_formula_sum '[Ba2 Cu2 B4 O10]'
_cell_volume [247.0439]
_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  2  0.0000  0.0025  0.0000  1
  Cu  Cu1  2  0.0000  0.5926  0.5000  1
  B  B2  4  0.1785  0.3077  0.4047  1
  O  O3  4  0.1888  0.7278  0.7541  1
  O  O4  4  0.2163  0.4512  0.4669  1
  O  O5  2  0.0000  0.2382  0.5000  1
]