data_NaTa2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Ag
_chemical_formula_sum   'Na1 Ta2 Ag1'
_cell_volume   76.67
_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  0.0  1.0
  Ta  Ta2  1  0.36  0.59  0.36  1.0
  Ta  Ta3  1  0.36  0.41  0.36  1.0
  Ag  Ag0  1  0.72  0.0  0.0  1.0

data_NaTa2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.44
_cell_length_c   5.85
_cell_angle_alpha   117.72
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Ag
_chemical_formula_sum   'Na1 Ta2 Ag1'
_cell_volume   76.67
_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
  Ta  Ta1  1  0.36  0.41  0.77  1.0
  Ta  Ta2  1  0.36  0.59  0.95  1.0
  Ag  Ag3  1  0.0  0.0  0.72  1.0

Na Ta Ta Ag
Na Ta Ta Ag 0 3 - o o 1 2 o o o 