data_NaTa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Mo
_chemical_formula_sum   'Na1 Ta2 Mo1'
_cell_volume   77.35
_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  0.67  1.0
  Ta  Ta2  1  0.6  0.0  0.07  1.0
  Ta  Ta3  1  0.0  0.0  0.68  1.0
  Mo  Mo0  1  0.6  0.0  0.49  1.0

data_NaTa2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   10.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Mo
_chemical_formula_sum   'Na1 Ta2 Mo1'
_cell_volume   77.35
_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  0.67  1.0
  Ta  Ta1  1  0.0  0.0  0.68  1.0
  Ta  Ta2  1  0.6  0.0  0.07  1.0
  Mo  Mo3  1  0.6  0.0  0.49  1.0

Na Ta Ta Mo
Na Ta Ta Mo 0 2 o o o 0 3 o o o 0 3 - o o 1 1 + + o 1 1 o + o 1 1 + o o 2 3 o o o 2 3 - o o 