data_La5Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21
_cell_length_b   8.21
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   144.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Zn
_chemical_formula_sum   'La5 Zn1'
_cell_volume   194.45
_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  0.49  0.63  0.49  1.0
  La  La1  1  0.49  0.42  0.0  1.0
  La  La2  1  0.49  0.0  0.49  1.0
  La  La3  1  0.49  0.58  0.0  1.0
  La  La4  1  0.49  0.37  0.49  1.0
  Zn  Zn5  1  0.0  0.0  0.0  1.0

data_La5Zn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   107.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La5Zn
_chemical_formula_sum   'La5 Zn1'
_cell_volume   194.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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  0.37  0.5  0.88  1.0
  La  La1  2  0.42  0.0  0.93  1.0
  La  La2  1  0.0  0.5  0.51  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

La La La La La Zn
La La La La La Zn 0 3 o o o 0 3 o o + 0 4 o o o 0 2 o + o 1 3 o o o 1 4 o o o 1 4 o o - 1 5 + + o 1 5 o o o 2 4 o o o 3 5 + + o 3 5 o o o 
La5Zn crystallizes in the triclinic P1 space group. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one La(3), one La(5), two equivalent La(4), and two equivalent Zn(1) atoms. The La(1)-La(3) bond length is 3.07 Å. The La(1)-La(5) bond length is 2.06 Å. There is one shorter (2.48 Å) and one longer (2.56 Å) La(1)-La(4) bond length. There is one shorter (3.45 Å) and one longer (3.50 Å) La(1)-Zn(1) bond length. In the second La site, La(2) is bonded in a distorted L-shaped geometry to one La(4), two equivalent La(5), and one Zn(1) atom. The La(2)-La(4) bond length is 1.31 Å. There is one shorter (2.48 Å) and one longer (2.56 Å) La(2)-La(5) bond length. The La(2)-Zn(1) bond length is 2.35 Å. In the third La site, La(3) is bonded in a linear geometry to one La(1) and one La(5) atom. The La(3)-La(5) bond length is 3.07 Å. In the fourth La site, La(4) is bonded in a distorted L-shaped geometry to one La(2), two equivalent La(1), and one Zn(1) atom. The La(4)-Zn(1) bond length is 2.40 Å. In the fifth La site, La(5) is bonded in a 6-coordinate geometry to one La(1), one La(3), two equivalent La(2), and two equivalent Zn(1) atoms. There is one shorter (3.41 Å) and one longer (3.46 Å) La(5)-Zn(1) bond length. Zn(1) is bonded in a distorted linear geometry to one La(2), one La(4), two equivalent La(1), and two equivalent La(5) atoms.