data_FeTc2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   2.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTc2Ag
_chemical_formula_sum   'Fe1 Tc2 Ag1'
_cell_volume   58.54
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.33  0.09  0.31  1.0
  Tc  Tc3  1  0.33  0.91  0.31  1.0
  Ag  Ag0  1  0.67  0.0  0.0  1.0

data_FeTc2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   114.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeTc2Ag
_chemical_formula_sum   'Fe1 Tc2 Ag1'
_cell_volume   58.54
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.31  0.33  0.09  1.0
  Tc  Tc2  1  0.31  0.33  0.91  1.0
  Ag  Ag3  1  0.0  0.67  0.0  1.0

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