data_NaInTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.68
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInTc2
_chemical_formula_sum   'Na1 In1 Tc2'
_cell_volume   79.05
_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  Na1  1  0.55  0.0  0.47  1.0
  In  In0  1  0.94  0.84  0.28  1.0
  Tc  Tc2  1  0.08  0.84  0.44  1.0
  Tc  Tc3  1  0.33  0.0  0.5  1.0

data_NaInTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.68
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInTc2
_chemical_formula_sum   'Na1 In1 Tc2'
_cell_volume   79.05
_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  0.55  0.0  0.47  1.0
  In  In1  1  0.94  0.84  0.28  1.0
  Tc  Tc2  1  0.08  0.84  0.44  1.0
  Tc  Tc3  1  0.33  0.0  0.5  1.0

Na In Tc Tc
Na In Tc Tc 0 3 o o o 1 2 + o o 2 3 o + o 