data_[La1Nd1C1F1]
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
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3890]
_cell_length_b [4.3890]
_cell_length_c [5.2979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LaNdCF]
_chemical_formula_sum '[La1 Nd1 C1 F1]'
_cell_volume [88.3848]
_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  0.6667  0.3333  0.5000  1
  Nd  Nd1  1  0.3333  0.6667  0.0000  1
  C  C2  1  0.6667  0.3333  0.0000  1
  F  F3  1  0.3333  0.6667  0.5000  1
]