data_NaLiTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   4.8
_cell_angle_alpha   108.91
_cell_angle_beta   108.91
_cell_angle_gamma   27.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiTa2
_chemical_formula_sum   'Na1 Li1 Ta2'
_cell_volume   78.09
_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  0.18  0.0  0.26  1.0
  Li  Li0  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.9  0.0  0.44  1.0
  Ta  Ta3  1  0.46  0.0  0.09  1.0

data_NaLiTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.8
_cell_length_c   6.15
_cell_angle_alpha   108.91
_cell_angle_beta   103.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLiTa2
_chemical_formula_sum   'Na1 Li1 Ta2'
_cell_volume   78.09
_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  0.26  0.18  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.09  0.46  1.0
  Ta  Ta3  1  0.0  0.44  0.9  1.0

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