data_Fe2TcPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   4.01
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   99.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcPb
_chemical_formula_sum   'Fe2 Tc1 Pb1'
_cell_volume   64.6
_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  0.24  0.01  0.53  1.0
  Fe  Fe1  1  0.93  0.0  0.15  1.0
  Tc  Tc3  1  0.01  0.0  0.48  1.0
  Pb  Pb2  1  0.41  0.01  0.73  1.0

data_Fe2TcPb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.9
_cell_length_b   4.01
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   99.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Fe2TcPb
_chemical_formula_sum   'Fe2 Tc1 Pb1'
_cell_volume   64.6
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.24  0.0  0.53  1.0
  Fe  Fe1  1  0.93  0.0  0.15  1.0
  Tc  Tc2  1  0.01  0.0  0.48  1.0
  Pb  Pb3  1  0.41  0.0  0.73  1.0

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