data_LaZn2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2O4
_chemical_formula_sum   'La2 Zn4 O8'
_cell_volume   184.97
_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  1  0.0  0.0  0.0  1.0
  La  La1  1  0.26  0.26  0.26  1.0
  Zn  Zn10  1  0.39  0.39  0.65  1.0
  Zn  Zn11  1  0.65  0.65  0.65  1.0
  Zn  Zn12  1  0.65  0.39  0.39  1.0
  Zn  Zn13  1  0.39  0.65  0.39  1.0
  O  O2  1  0.55  0.5  0.5  1.0
  O  O3  1  0.55  0.55  0.55  1.0
  O  O4  1  0.5  0.55  0.5  1.0
  O  O5  1  0.81  0.81  0.76  1.0
  O  O6  1  0.5  0.5  0.55  1.0
  O  O7  1  0.81  0.76  0.81  1.0
  O  O8  1  0.76  0.76  0.76  1.0
  O  O9  1  0.76  0.81  0.81  1.0

data_LaZn2O4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   15.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaZn2O4
_chemical_formula_sum   'La6 Zn12 O24'
_cell_volume   554.92
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  La  La1  3  0.0  0.0  0.74  1.0
  Zn  Zn2  9  0.09  0.17  0.52  1.0
  Zn  Zn3  3  0.0  0.0  0.35  1.0
  O  O4  9  0.02  0.98  0.49  1.0
  O  O5  9  0.03  0.02  0.21  1.0
  O  O6  3  0.0  0.0  0.24  1.0
  O  O7  3  0.0  0.0  0.45  1.0

La La Zn Zn Zn Zn O O O O O O O O
LaZn2O4 crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to three equivalent Zn(1), three equivalent Zn(2), and three equivalent O(3) atoms. All La(1)-Zn(1) bond lengths are 3.55 Å. All La(1)-Zn(2) bond lengths are 3.70 Å. All La(1)-O(3) bond lengths are 3.28 Å. In the second La site, La(2) is bonded in a 3-coordinate geometry to three equivalent Zn(1) atoms. All La(2)-Zn(1) bond lengths are 3.28 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one La(1), one La(2), and one O(1) atom. The Zn(1)-O(1) bond length is 0.97 Å. In the second Zn site, Zn(2) is bonded in a linear geometry to three equivalent La(1), one O(2), and one O(4) atom. The Zn(2)-O(2) bond length is 1.68 Å. The Zn(2)-O(4) bond length is 1.68 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zn(1), one O(2), and two equivalent O(1) atoms. The O(1)-O(2) bond length is 0.51 Å. Both O(1)-O(1) bond lengths are 0.30 Å. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Zn(2) and three equivalent O(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one La(1) and two equivalent O(3) atoms. Both O(3)-O(3) bond lengths are 0.30 Å. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Zn(2) atom.