data_Na2TcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.9
_cell_angle_alpha   94.41
_cell_angle_beta   94.41
_cell_angle_gamma   29.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcAg
_chemical_formula_sum   'Na2 Tc1 Ag1'
_cell_volume   79.57
_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  0.6  0.0  0.88  1.0
  Na  Na2  1  0.14  0.0  0.38  1.0
  Tc  Tc3  1  0.77  0.0  0.77  1.0
  Ag  Ag0  1  0.49  0.0  0.69  1.0

data_Na2TcAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   5.23
_cell_length_c   5.9
_cell_angle_alpha   94.41
_cell_angle_beta   90.0
_cell_angle_gamma   104.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcAg
_chemical_formula_sum   'Na2 Tc1 Ag1'
_cell_volume   79.57
_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  0.4  0.12  1.0
  Na  Na1  1  0.0  0.86  0.62  1.0
  Tc  Tc2  1  0.0  0.23  0.23  1.0
  Ag  Ag3  1  0.0  0.51  0.31  1.0

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