data_NaTc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   2.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2W
_chemical_formula_sum   'Na1 Tc2 W1'
_cell_volume   64.53
_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
  Tc  Tc1  1  0.44  0.19  0.27  1.0
  Tc  Tc2  1  0.44  0.81  0.27  1.0
  W  W3  1  0.88  0.0  0.0  1.0

data_NaTc2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   113.4
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2W
_chemical_formula_sum   'Na1 Tc2 W1'
_cell_volume   64.53
_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
  Tc  Tc1  1  0.27  0.44  0.19  1.0
  Tc  Tc2  1  0.27  0.44  0.81  1.0
  W  W3  1  0.0  0.88  0.0  1.0

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