data_LiZrAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrAg2
_chemical_formula_sum   'Li1 Zr1 Ag2'
_cell_volume   76.58
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.54  0.54  0.0  1.0
  Ag  Ag0  1  0.54  0.0  0.49  1.0
  Ag  Ag1  1  0.0  0.54  0.49  1.0

data_LiZrAg2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   2.97
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   LiZrAg2
_chemical_formula_sum   'Li2 Zr2 Ag4'
_cell_volume   153.16
_cell_formula_units_Z   2
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'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Zr  Zr1  2  0.0  0.0  0.54  1.0
  Ag  Ag2  4  0.5  0.23  0.77  1.0

Li Zr Ag Ag
Li Zr Ag Ag 0 1 - - o 0 2 - o - 0 2 - o o 0 2 o o - 0 2 o o o 0 3 o - - 0 3 o - o 0 3 o o - 0 3 o o o 0 0 o o + 1 3 o o - 1 3 o o o 1 3 + o - 1 3 + o o 1 2 o o - 1 2 o o o 1 2 o + - 1 2 o + o 1 1 o o + 2 3 + - o 2 2 o o + 3 3 o o + 
LiZrAg2 is alpha iridium vanadium-derived structured and crystallizes in the monoclinic Cm space group. Li(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ag(1) atoms. There are a spread of Li(1)-Ag(1) bond distances ranging from 2.76-3.13 Å. Zr(1) is bonded in a 8-coordinate geometry to eight equivalent Ag(1) atoms. There are a spread of Zr(1)-Ag(1) bond distances ranging from 2.76-3.13 Å. Ag(1) is bonded in a 8-coordinate geometry to four equivalent Li(1) and four equivalent Zr(1) atoms.