data_Fe2TcSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   2.74
_cell_angle_alpha   91.24
_cell_angle_beta   91.24
_cell_angle_gamma   112.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcSn
_chemical_formula_sum   'Fe2 Tc1 Sn1'
_cell_volume   56.78
_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  0.27  0.97  0.37  1.0
  Fe  Fe1  1  0.27  0.03  0.37  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.64  0.0  0.0  1.0

data_Fe2TcSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   112.39
_cell_angle_beta   91.24
_cell_angle_gamma   91.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcSn
_chemical_formula_sum   'Fe2 Tc1 Sn1'
_cell_volume   56.78
_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  0.37  0.27  0.97  1.0
  Fe  Fe1  1  0.37  0.27  0.03  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.64  0.0  1.0

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