data_Fe2TcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.62
_cell_angle_alpha   104.66
_cell_angle_beta   104.66
_cell_angle_gamma   33.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcAg
_chemical_formula_sum   'Fe2 Tc1 Ag1'
_cell_volume   55.25
_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  0.68  0.0  0.45  1.0
  Fe  Fe2  1  0.48  0.0  0.27  1.0
  Tc  Tc3  1  0.0  0.0  0.42  1.0
  Ag  Ag0  1  0.46  0.0  0.0  1.0

data_Fe2TcAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.62
_cell_length_c   4.74
_cell_angle_alpha   104.66
_cell_angle_beta   106.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcAg
_chemical_formula_sum   'Fe2 Tc1 Ag1'
_cell_volume   55.25
_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  0.27  0.48  1.0
  Fe  Fe1  1  0.0  0.45  0.68  1.0
  Tc  Tc2  1  0.0  0.42  0.0  1.0
  Ag  Ag3  1  0.0  0.0  0.46  1.0

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