data_LaZn4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn4Os
_chemical_formula_sum   'La1 Zn4 Os1'
_cell_volume   102.07
_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  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.62  0.8  0.8  1.0
  Zn  Zn3  1  0.8  0.8  0.62  1.0
  Zn  Zn4  1  0.8  0.62  0.8  1.0
  Zn  Zn5  1  0.62  0.62  0.62  1.0
  Os  Os1  1  0.85  0.85  0.85  1.0

data_LaZn4Os
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   12.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaZn4Os
_chemical_formula_sum   'La3 Zn12 Os3'
_cell_volume   306.22
_cell_formula_units_Z   3
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
  Zn  Zn1  9  0.12  0.06  0.26  1.0
  Zn  Zn2  3  0.0  0.0  0.38  1.0
  Os  Os3  3  0.0  0.0  0.15  1.0

La Zn Zn Zn Zn Os
La Zn Zn Zn Zn Os 0 5 - - - 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
LaOsZn4 crystallizes in the trigonal R3m space group. La(1) is bonded in a distorted single-bond geometry to one Os(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. The La(1)-Os(1) bond length is 1.87 Å. All La(1)-Zn(1) bond lengths are 2.66 Å. All La(1)-Zn(2) bond lengths are 3.08 Å. Os(1) is bonded in a 4-coordinate geometry to one La(1), three equivalent Zn(1), and three equivalent Zn(2) atoms. All Os(1)-Zn(1) bond lengths are 1.58 Å. All Os(1)-Zn(2) bond lengths are 3.29 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one La(1), one Os(1), one Zn(2), and two equivalent Zn(1) atoms. The Zn(1)-Zn(2) bond length is 1.60 Å. Both Zn(1)-Zn(1) bond lengths are 0.92 Å. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent Os(1), and three equivalent Zn(1) atoms.