data_NaTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   6.13
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa3
_chemical_formula_sum   'Na2 Ta6'
_cell_volume   154.5
_cell_formula_units_Z   2
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  0.43  1.0
  Na  Na1  1  0.41  0.06  0.8  1.0
  Ta  Ta2  1  0.41  0.0  0.51  1.0
  Ta  Ta3  1  0.0  0.06  0.72  1.0
  Ta  Ta4  1  0.0  0.53  0.84  1.0
  Ta  Ta5  1  0.0  0.6  0.84  1.0
  Ta  Ta6  1  0.41  0.59  0.39  1.0
  Ta  Ta7  1  0.41  0.54  0.39  1.0

data_NaTa3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   5.23
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa3
_chemical_formula_sum   'Na2 Ta6'
_cell_volume   154.5
_cell_formula_units_Z   2
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  0.57  0.0  1.0
  Na  Na1  1  0.59  0.2  0.94  1.0
  Ta  Ta2  1  0.0  0.16  0.4  1.0
  Ta  Ta3  1  0.0  0.16  0.47  1.0
  Ta  Ta4  1  0.0  0.28  0.94  1.0
  Ta  Ta5  1  0.59  0.49  0.0  1.0
  Ta  Ta6  1  0.59  0.61  0.41  1.0
  Ta  Ta7  1  0.59  0.61  0.46  1.0

Na Na Ta Ta Ta Ta Ta Ta