data_Li2CoAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43
_cell_length_b   9.43
_cell_length_c   9.43
_cell_angle_alpha   16.71
_cell_angle_beta   16.71
_cell_angle_gamma   16.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CoAg
_chemical_formula_sum   'Li2 Co1 Ag1'
_cell_volume   60.48
_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  0.72  1.0
  Li  Li3  1  0.0  0.0  1.0  1.0
  Co  Co1  1  0.0  0.0  0.03  1.0
  Ag  Ag0  1  0.0  0.0  0.99  1.0

data_Li2CoAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   2.74
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   99.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2CoAg
_chemical_formula_sum   'Li4 Co2 Ag2'
_cell_volume   120.95
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.28  1.0
  Li  Li1  2  -0.0  0.0  0.0  1.0
  Co  Co2  2  0.0  0.0  0.97  1.0
  Ag  Ag3  2  -0.0  0.0  0.01  1.0

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