data_[Li8La56Cu16O112]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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/m]
_cell_length_a [19.1564]
_cell_length_b [13.1424]
_cell_length_c [11.8767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiLa7(CuO7)2]
_chemical_formula_sum '[Li8 La56 Cu16 O112]'
_cell_volume [2595.0281]
_cell_formula_units_Z [8]
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
[
  Li  Li0  4  0.0714  0.5000  0.3575  1
  Li  Li1  4  0.2143  0.5000  0.0708  1
  La  La2  8  0.0716  0.3620  0.8575  1
  La  La3  8  0.0743  0.1404  0.3517  1
  La  La4  8  0.1424  0.3617  0.2140  1
  La  La5  8  0.1453  0.1402  0.7180  1
  La  La6  8  0.2127  0.1374  0.0742  1
  La  La7  8  0.2166  0.3641  0.5752  1
  La  La8  4  0.0000  0.1340  0.0000  1
  La  La9  4  0.0000  0.3603  0.5000  1
  Cu  Cu10  4  0.0717  0.0000  0.8568  1
  Cu  Cu11  4  0.1425  0.5000  0.7143  1
  Cu  Cu12  4  0.2145  0.0000  0.5720  1
  Cu  Cu13  2  0.0000  0.0000  0.5000  1
  Cu  Cu14  2  0.0000  0.5000  0.0000  1
  O  O15  8  0.0708  0.3204  0.3563  1
  O  O16  8  0.0714  0.1841  0.8559  1
  O  O17  8  0.1428  0.3149  0.7143  1
  O  O18  8  0.1433  0.1854  0.2162  1
  O  O19  8  0.2134  0.1844  0.5707  1
  O  O20  8  0.2144  0.3199  0.0725  1
  O  O21  4  0.0000  0.1791  0.5000  1
  O  O22  4  0.0000  0.3140  0.0000  1
  O  O23  4  0.0325  0.0000  0.1776  1
  O  O24  4  0.0348  0.5000  0.1744  1
  O  O25  4  0.0354  0.0000  0.6789  1
  O  O26  4  0.0373  0.5000  0.6784  1
  O  O27  4  0.1045  0.5000  0.0343  1
  O  O28  4  0.1064  0.0000  0.0316  1
  O  O29  4  0.1079  0.5000  0.5399  1
  O  O30  4  0.1080  0.0000  0.5353  1
  O  O31  4  0.1768  0.0000  0.8928  1
  O  O32  4  0.1780  0.5000  0.8890  1
  O  O33  4  0.1794  0.0000  0.3978  1
  O  O34  4  0.1803  0.5000  0.3942  1
  O  O35  4  0.2469  0.5000  0.7496  1
  O  O36  4  0.2493  0.0000  0.7472  1
]