data_NaIn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.04
_cell_length_b   10.04
_cell_length_c   10.04
_cell_angle_alpha   18.22
_cell_angle_beta   18.22
_cell_angle_gamma   18.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2Tc
_chemical_formula_sum   'Na1 In2 Tc1'
_cell_volume   86.39
_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
  In  In0  1  0.0  0.0  0.51  1.0
  In  In1  1  0.0  0.0  0.11  1.0
  Tc  Tc3  1  0.0  0.0  0.81  1.0

data_NaIn2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   3.18
_cell_length_c   10.04
_cell_angle_alpha   90.0
_cell_angle_beta   100.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaIn2Tc
_chemical_formula_sum   'Na2 In4 Tc2'
_cell_volume   172.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.49  1.0
  In  In2  2  0.0  0.0  0.89  1.0
  Tc  Tc3  2  0.0  0.0  0.19  1.0

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