data_FeCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   2.57
_cell_angle_alpha   91.38
_cell_angle_beta   91.38
_cell_angle_gamma   112.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuTc2
_chemical_formula_sum   'Fe1 Cu1 Tc2'
_cell_volume   52.57
_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
  Cu  Cu0  1  0.61  0.0  0.0  1.0
  Tc  Tc2  1  0.25  0.96  0.28  1.0
  Tc  Tc3  1  0.25  0.04  0.28  1.0

data_FeCuTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   112.87
_cell_angle_beta   91.38
_cell_angle_gamma   91.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuTc2
_chemical_formula_sum   'Fe1 Cu1 Tc2'
_cell_volume   52.57
_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
  Cu  Cu1  1  0.0  0.61  0.0  1.0
  Tc  Tc2  1  0.28  0.25  0.04  1.0
  Tc  Tc3  1  0.28  0.25  0.96  1.0

Fe Cu Tc Tc