data_[La24Cu20O62]
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 [C2]
_cell_length_a [6.6727]
_cell_length_b [11.6383]
_cell_length_c [20.6841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [La12Cu10O31]
_chemical_formula_sum '[La24 Cu20 O62]'
_cell_volume [1606.3002]
_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
[
  La  La0  4  0.0001  0.6670  0.1290  1
  La  La1  4  0.0003  1.0000  0.1290  1
  La  La2  4  0.0005  0.3336  0.1297  1
  La  La3  4  0.0029  0.3319  0.6174  1
  La  La4  4  0.0069  0.0069  0.3863  1
  La  La5  4  0.0085  0.6583  0.3825  1
  Cu  Cu6  4  0.0053  0.8346  0.7436  1
  Cu  Cu7  4  0.2447  0.0853  0.7444  1
  Cu  Cu8  4  0.2474  0.5821  0.7441  1
  Cu  Cu9  4  0.2497  0.0833  1.0000  1
  Cu  Cu10  2  0.0000  0.8336  0.0000  1
  Cu  Cu11  2  0.0000  0.8388  0.5000  1
  O  O12  4  0.0017  0.6677  0.2560  1
  O  O13  4  0.0018  0.0006  0.2542  1
  O  O14  4  0.1500  0.4928  0.5779  1
  O  O15  4  0.1596  0.8357  0.3284  1
  O  O16  4  0.1620  0.4994  0.8197  1
  O  O17  4  0.1631  0.8235  0.5682  1
  O  O18  4  0.1637  0.1687  0.8200  1
  O  O19  4  0.1645  0.1665  0.0761  1
  O  O20  4  0.1655  0.5000  0.0762  1
  O  O21  4  0.1663  0.1665  0.3277  1
  O  O22  4  0.1666  0.8338  0.0767  1
  O  O23  4  0.1709  0.8333  0.8198  1
  O  O24  4  0.1727  0.1789  0.5742  1
  O  O25  4  0.1755  0.4991  0.3272  1
  O  O26  2  0.0000  0.6678  0.0000  1
  O  O27  2  0.0000  0.9925  0.5000  1
  O  O28  2  0.0000  0.9991  0.0000  1
]