data_La3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3F
_chemical_formula_sum   'La6 F2'
_cell_volume   200.68
_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  La2  1  0.0  0.51  0.96  1.0
  La  La3  1  0.66  0.38  0.96  1.0
  La  La4  1  0.34  0.38  0.96  1.0
  La  La5  1  0.83  0.13  0.99  1.0
  La  La6  1  0.17  0.25  0.99  1.0
  La  La7  1  0.49  0.25  0.99  1.0
  F  F0  1  0.0  0.42  0.99  1.0
  F  F1  1  0.83  0.21  0.96  1.0

data_La3F
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.94
_cell_length_b   7.66
_cell_length_c   7.66
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   La3F
_chemical_formula_sum   'La6 F2'
_cell_volume   200.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.49  0.24  0.06  1.0
  La  La1  2  0.49  0.58  0.19  1.0
  La  La2  2  0.49  0.92  0.06  1.0
  F  F3  2  0.49  0.42  0.89  1.0

La La La La La La F F
La3F crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two La3F clusters. There are three inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one F(1) atom. The La(1)-F(1) bond length is 0.64 Å. In the second La site, La(2) is bonded in a distorted water-like geometry to one La(3) and one F(1) atom. The La(2)-La(3) bond length is 1.17 Å. The La(2)-F(1) bond length is 2.28 Å. In the third La site, La(3) is bonded in a 1-coordinate geometry to one La(2) atom. F(1) is bonded in a single-bond geometry to one La(1) and one La(2) atom.