data_[La8C4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [16.0509]
_cell_length_b [7.0323]
_cell_length_c [4.1388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [La2CO5]
_chemical_formula_sum '[La8 C4 O20]'
_cell_volume [467.1572]
_cell_formula_units_Z [4]
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  8  0.0948  0.3331  0.9954  1.0
  C  C1  4  0.2500  0.4648  0.6054  1.0
  O  O2  8  0.0564  0.1677  0.4941  1.0
  O  O3  8  0.1784  0.0065  0.9744  1.0
  O  O4  4  0.2500  0.3781  0.8794  1.0
]