data_Fe3Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Tc
_chemical_formula_sum   'Fe6 Tc2'
_cell_volume   91.18
_cell_formula_units_Z   2
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  0.55  0.29  0.03  1.0
  Fe  Fe1  1  0.55  0.71  0.01  1.0
  Fe  Fe2  1  0.21  0.53  0.03  1.0
  Fe  Fe3  1  0.9  0.47  0.01  1.0
  Fe  Fe4  1  0.9  0.53  0.03  1.0
  Fe  Fe5  1  0.21  0.47  0.01  1.0
  Tc  Tc6  1  0.55  0.2  0.01  1.0
  Tc  Tc7  1  0.55  0.8  0.03  1.0

data_Fe3Tc
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.04
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   119.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Fe3Tc
_chemical_formula_sum   'Fe6 Tc2'
_cell_volume   91.18
_cell_formula_units_Z   2
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  2  0.01  0.16  0.53  1.0
  Fe  Fe1  2  0.01  0.5  0.29  1.0
  Fe  Fe2  2  0.01  0.84  0.53  1.0
  Tc  Tc3  2  0.01  0.5  0.8  1.0

Fe Fe Fe Fe Fe Fe Tc Tc