data_NaLaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaTc
_chemical_formula_sum   'Na1 La1 Tc1'
_cell_volume   67.34
_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  0.0  0.0  0.03  1.0
  La  La0  1  0.63  0.52  0.12  1.0
  Tc  Tc2  1  0.0  0.03  0.67  1.0

data_NaLaTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaTc
_chemical_formula_sum   'Na1 La1 Tc1'
_cell_volume   67.34
_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  0.03  0.0  0.0  1.0
  La  La1  1  0.12  0.63  0.52  1.0
  Tc  Tc2  1  0.67  0.0  0.03  1.0

Na La Tc
Na La Tc 0 2 o o - 0 1 o o o 0 1 - - o 1 2 + + - 1 2 + + o 1 1 o o + 