data_[La1Ce1O4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.0182]
_cell_length_b [4.0182]
_cell_length_c [8.3545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LaCe(O2F)2]
_chemical_formula_sum '[La1 Ce1 O4 F2]'
_cell_volume [116.8177]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.5000  1
  Ce  Ce1  1  0.3333  0.6667  0.0000  1
  O  O2  2  0.6667  0.3333  0.3361  1
  O  O3  2  0.6667  0.3333  0.8458  1
  F  F4  1  0.0000  0.0000  0.0000  1
  F  F5  1  0.0000  0.0000  0.5000  1
]