data_Fe2TcSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   4.71
_cell_angle_alpha   132.92
_cell_angle_beta   132.92
_cell_angle_gamma   68.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcSb
_chemical_formula_sum   'Fe2 Tc1 Sb1'
_cell_volume   54.91
_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  0.88  0.94  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.88  1.0
  Sb  Sb2  1  0.88  0.0  0.94  1.0

data_Fe2TcSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   4.71
_cell_angle_alpha   113.54
_cell_angle_beta   113.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcSb
_chemical_formula_sum   'Fe2 Tc1 Sb1'
_cell_volume   54.91
_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
  Fe  Fe1  1  0.94  0.88  0.94  1.0
  Tc  Tc2  1  0.12  0.0  0.12  1.0
  Sb  Sb3  1  0.06  0.0  0.94  1.0

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