data_LiV2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   4.83
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   102.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Ag
_chemical_formula_sum   'Li1 V2 Ag1'
_cell_volume   57.58
_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  Li1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.83  0.41  0.47  1.0
  V  V3  1  0.78  0.41  0.05  1.0
  Ag  Ag0  1  0.81  0.0  0.26  1.0

data_LiV2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.64
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiV2Ag
_chemical_formula_sum   'Li1 V2 Ag1'
_cell_volume   57.58
_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  Li0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.17  0.53  0.59  1.0
  V  V2  1  0.22  0.95  0.59  1.0
  Ag  Ag3  1  0.19  0.74  0.0  1.0

Li V V Ag
Li V V Ag 0 3 - o o 0 2 - o o 1 3 o o o 1 2 o o o 2 3 o o o 