data_NaFe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.06
_cell_angle_alpha   92.45
_cell_angle_beta   92.45
_cell_angle_gamma   33.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFe2Tc
_chemical_formula_sum   'Na1 Fe2 Tc1'
_cell_volume   67.85
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.44  0.0  0.04  1.0
  Fe  Fe1  1  0.93  0.0  0.02  1.0
  Tc  Tc3  1  0.18  0.0  0.03  1.0

data_NaFe2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.51
_cell_length_c   6.06
_cell_angle_alpha   92.45
_cell_angle_beta   90.0
_cell_angle_gamma   106.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFe2Tc
_chemical_formula_sum   'Na1 Fe2 Tc1'
_cell_volume   67.85
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.07  0.98  1.0
  Fe  Fe2  1  0.0  0.56  0.96  1.0
  Tc  Tc3  1  0.0  0.82  0.97  1.0

Na Fe Fe Tc
Na Fe Fe Tc 0 2 - o o 0 3 o o o 1 3 o o o 