data_NaTi2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   132.3
_cell_angle_beta   132.3
_cell_angle_gamma   69.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2Tc
_chemical_formula_sum   'Na1 Ti2 Tc1'
_cell_volume   68.48
_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
  Ti  Ti2  1  0.0  0.0  0.13  1.0
  Ti  Ti3  1  0.0  0.04  0.07  1.0
  Tc  Tc1  1  0.04  0.0  0.07  1.0

data_NaTi2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.03
_cell_angle_alpha   113.85
_cell_angle_beta   113.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2Tc
_chemical_formula_sum   'Na1 Ti2 Tc1'
_cell_volume   68.48
_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
  Ti  Ti1  1  0.03  0.07  0.03  1.0
  Ti  Ti2  1  0.13  0.13  0.13  1.0
  Tc  Tc3  1  0.07  0.03  0.03  1.0

Na Ti Ti Tc
Na Ti Ti Tc 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 