data_[La16Si16O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_1]
_cell_length_a [6.9178]
_cell_length_b [6.9178]
_cell_length_c [25.2017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [76]
_chemical_formula_structural [La2Si2O7]
_chemical_formula_sum '[La16 Si16 O56]'
_cell_volume [1206.0423]
_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
[
  La  La0  4  0.0855  0.6520  0.2477  1
  La  La1  4  0.1264  0.2295  0.3590  1
  La  La2  4  0.1746  0.5275  0.6015  1
  La  La3  4  0.2187  0.2965  0.9975  1
  Si  Si4  4  0.0233  0.7054  0.3790  1
  Si  Si5  4  0.1409  0.7645  0.9833  1
  Si  Si6  4  0.2729  0.6248  0.4787  1
  Si  Si7  4  0.3006  0.3935  0.1351  1
  O  O8  4  0.0072  0.4589  0.8333  1
  O  O9  4  0.0500  0.1562  0.4525  1
  O  O10  4  0.0574  0.2694  0.2582  1
  O  O11  4  0.1054  0.6127  0.0325  1
  O  O12  4  0.1287  0.1652  0.6042  1
  O  O13  4  0.1313  0.5753  0.4270  1
  O  O14  4  0.1382  0.5575  0.1535  1
  O  O15  4  0.1399  0.7589  0.5190  1
  O  O16  4  0.1770  0.2134  0.9040  1
  O  O17  4  0.1893  0.2421  0.0951  1
  O  O18  4  0.2388  0.4552  0.7100  1
  O  O19  4  0.2735  0.6346  0.9406  1
  O  O20  4  0.3355  0.4293  0.5095  1
  O  O21  4  0.4833  0.5065  0.1103  1
]