data_LiCuAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   4.33
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuAg2
_chemical_formula_sum   'Li1 Cu1 Ag2'
_cell_volume   63.4
_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  Li3  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.94  0.0  0.64  1.0
  Ag  Ag0  1  0.86  0.17  0.33  1.0
  Ag  Ag1  1  0.01  0.17  0.95  1.0

data_LiCuAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.33
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuAg2
_chemical_formula_sum   'Li1 Cu1 Ag2'
_cell_volume   63.4
_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
  Cu  Cu1  1  0.94  0.0  0.64  1.0
  Ag  Ag2  1  0.01  0.17  0.95  1.0
  Ag  Ag3  1  0.86  0.17  0.33  1.0

Li Cu Ag Ag
Li Cu Ag Ag 0 3 o o - 0 1 - o - 0 2 - o o 1 2 o o o 1 3 + o o 2 3 + o - 