data_Li2TcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58
_cell_length_b   9.58
_cell_length_c   9.58
_cell_angle_alpha   16.39
_cell_angle_beta   16.39
_cell_angle_gamma   16.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcAg
_chemical_formula_sum   'Li2 Tc1 Ag1'
_cell_volume   61.08
_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  0.15  1.0
  Li  Li2  1  0.0  0.0  0.2  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.18  1.0

data_Li2TcAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   2.73
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   99.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2TcAg
_chemical_formula_sum   'Li4 Tc2 Ag2'
_cell_volume   122.16
_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+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  0.85  1.0
  Li  Li1  2  0.0  0.0  0.8  1.0
  Tc  Tc2  2  0.0  0.0  0.0  1.0
  Ag  Ag3  2  0.0  0.0  0.82  1.0

Li Li Tc Ag
Li Li Tc Ag 0 3 o o o 0 2 o o o 1 3 o o o 2 3 o o o 