data_[La16W8O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [7.5603]
_cell_length_b [10.5317]
_cell_length_c [12.9014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [La2WO6]
_chemical_formula_sum '[La16 W8 O48]'
_cell_volume [1027.2423]
_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  0.0200  0.7756  0.0846  1
  La  La1  4  0.0680  0.9159  0.5837  1
  La  La2  4  0.2376  0.9559  0.3256  1
  La  La3  4  0.2376  0.4469  0.1344  1
  W  W4  4  0.0352  0.6216  0.3703  1
  W  W5  4  0.0564  0.2717  0.6832  1
  O  O6  4  0.0030  0.7064  0.6814  1
  O  O7  4  0.0225  0.4445  0.7310  1
  O  O8  4  0.0278  0.7986  0.4179  1
  O  O9  4  0.0286  0.0570  0.4283  1
  O  O10  4  0.0506  0.4542  0.2948  1
  O  O11  4  0.1017  0.0541  0.0165  1
  O  O12  4  0.1498  0.7530  0.8895  1
  O  O13  4  0.1757  0.3437  0.5628  1
  O  O14  4  0.1764  0.6950  0.2493  1
  O  O15  4  0.1784  0.1157  0.6490  1
  O  O16  4  0.1811  0.1471  0.2054  1
  O  O17  4  0.2485  0.4094  0.9469  1
]