data_LiFe2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.6
_cell_angle_alpha   101.23
_cell_angle_beta   101.23
_cell_angle_gamma   123.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2Ag
_chemical_formula_sum   'Li1 Fe2 Ag1'
_cell_volume   54.42
_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
  Fe  Fe1  1  0.7  0.68  0.18  1.0
  Fe  Fe2  1  0.7  0.32  0.18  1.0
  Ag  Ag0  1  0.48  0.0  0.0  1.0

data_LiFe2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.55
_cell_length_c   5.25
_cell_angle_alpha   113.74
_cell_angle_beta   101.23
_cell_angle_gamma   97.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2Ag
_chemical_formula_sum   'Li1 Fe2 Ag1'
_cell_volume   54.42
_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
  Fe  Fe1  1  0.5  0.32  0.02  1.0
  Fe  Fe2  1  0.87  0.68  0.39  1.0
  Ag  Ag3  1  0.0  0.0  0.48  1.0

Li Fe Fe Ag