data_[La6Cu6O15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7680]
_cell_length_b [7.2168]
_cell_length_c [13.9077]
_cell_angle_alpha [100.5064]
_cell_angle_beta [96.8437]
_cell_angle_gamma [104.9990]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2Cu2O5]
_chemical_formula_sum '[La6 Cu6 O15]'
_cell_volume [353.6296]
_cell_formula_units_Z [3]
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
[
  La  La0  2  0.0749  0.8080  0.2695  1
  La  La1  2  0.1413  0.7764  0.5373  1
  La  La2  2  0.2866  0.7497  0.8046  1
  Cu  Cu3  2  0.1655  0.1309  0.9421  1
  Cu  Cu4  2  0.2969  0.5244  0.0793  1
  Cu  Cu5  2  0.4456  0.5143  0.3618  1
  O  O6  2  0.0526  0.4837  0.6380  1
  O  O7  2  0.0925  0.1589  0.0780  1
  O  O8  2  0.1761  0.4131  0.9286  1
  O  O9  2  0.2789  0.1559  0.3252  1
  O  O10  2  0.3309  0.1243  0.5830  1
  O  O11  2  0.3769  0.5241  0.2212  1
  O  O12  2  0.4040  0.0923  0.8250  1
  O  O13  1  0.5000  0.5000  0.5000  1
]