data_[La2Nd2N2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5747]
_cell_length_b [3.5747]
_cell_length_c [12.7448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LaNdNF]
_chemical_formula_sum '[La2 Nd2 N2 F2]'
_cell_volume [141.0416]
_cell_formula_units_Z [2]
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  2  0.6667  0.3333  0.1439  1
  Nd  Nd1  2  0.0000  0.0000  0.3597  1
  N  N2  2  0.3333  0.6667  0.2574  1
  F  F3  1  0.0000  0.0000  0.0000  1
  F  F4  1  0.6667  0.3333  0.5000  1
]