data_Na2TaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.53
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaW
_chemical_formula_sum   'Na2 Ta1 W1'
_cell_volume   79.62
_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
  Na  Na1  1  0.51  0.27  0.0  1.0
  Ta  Ta2  1  0.51  0.0  0.9  1.0
  W  W3  1  0.0  0.27  0.9  1.0

data_Na2TaW
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.53
_cell_length_b   3.03
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2TaW
_chemical_formula_sum   'Na2 Ta1 W1'
_cell_volume   79.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.5  0.0  1.0
  Na  Na1  1  0.27  0.0  -0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.9  1.0
  W  W3  1  0.27  0.5  0.9  1.0

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