data_InTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.39
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2Ag
_chemical_formula_sum   'In1 Tc2 Ag1'
_cell_volume   68.73
_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
  In  In1  1  0.0  0.0  0.68  1.0
  Tc  Tc2  1  0.46  0.2  0.87  1.0
  Tc  Tc3  1  0.46  0.2  0.48  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_InTc2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.39
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTc2Ag
_chemical_formula_sum   'In1 Tc2 Ag1'
_cell_volume   68.73
_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
  In  In0  1  0.0  0.0  0.68  1.0
  Tc  Tc1  1  0.46  0.2  0.48  1.0
  Tc  Tc2  1  0.46  0.2  0.87  1.0
  Ag  Ag3  1  0.0  0.0  0.0  1.0

In Tc Tc Ag
In Tc Tc Ag 0 2 - o o 0 2 o o o 0 1 - o o 0 1 o o o 0 3 o o + 1 3 o o + 1 3 + o + 1 2 o o o 