data_Na2TlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.24
_cell_angle_alpha   99.95
_cell_angle_beta   99.95
_cell_angle_gamma   28.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlW
_chemical_formula_sum   'Na2 Tl1 W1'
_cell_volume   87.13
_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  0.4  0.0  0.21  1.0
  Na  Na1  1  0.18  0.0  0.94  1.0
  Tl  Tl2  1  0.29  0.0  0.58  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Na2TlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.24
_cell_length_c   5.94
_cell_angle_alpha   99.95
_cell_angle_beta   104.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlW
_chemical_formula_sum   'Na2 Tl1 W1'
_cell_volume   87.13
_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  0.21  0.4  1.0
  Na  Na1  1  0.0  0.94  0.18  1.0
  Tl  Tl2  1  0.0  0.58  0.29  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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