data_TlP2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   44.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlP2W
_chemical_formula_sum   'Tl1 P2 W1'
_cell_volume   73.53
_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
  Tl  Tl2  1  0.31  0.0  0.73  1.0
  P  P0  1  0.31  0.0  0.12  1.0
  P  P1  1  0.0  0.0  0.59  1.0
  W  W3  1  0.0  0.0  0.22  1.0

data_TlP2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.63
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   112.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlP2W
_chemical_formula_sum   'Tl1 P2 W1'
_cell_volume   73.53
_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
  Tl  Tl0  1  0.27  0.31  0.27  1.0
  P  P1  1  0.41  0.0  0.41  1.0
  P  P2  1  0.88  0.31  0.88  1.0
  W  W3  1  0.78  0.0  0.78  1.0

Tl P P W
Tl P P W 0 2 o o o 0 1 o o + 1 3 o o o 2 3 o o o 