data_Na2TaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   151.51
_cell_angle_beta   139.61
_cell_angle_gamma   50.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaTc
_chemical_formula_sum   'Na2 Ta1 Tc1'
_cell_volume   76.86
_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  0.17  0.04  1.0
  Na  Na1  1  0.55  0.0  0.67  1.0
  Ta  Ta2  1  0.0  0.0  0.7  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_Na2TaTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.35
_cell_length_c   6.3
_cell_angle_alpha   110.19
_cell_angle_beta   104.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaTc
_chemical_formula_sum   'Na2 Ta1 Tc1'
_cell_volume   76.86
_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  0.88  0.33  0.88  1.0
  Na  Na1  1  0.96  0.14  0.14  1.0
  Ta  Ta2  1  0.3  0.3  0.3  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

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