data_TlCuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCuW
_chemical_formula_sum   'Tl1 Cu1 W1'
_cell_volume   51.45
_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  Tl1  1  0.27  0.31  0.58  1.0
  Cu  Cu0  1  0.0  0.0  0.33  1.0
  W  W2  1  0.0  0.62  0.97  1.0

data_TlCuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCuW
_chemical_formula_sum   'Tl1 Cu1 W1'
_cell_volume   51.45
_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  0.58  0.27  0.31  1.0
  Cu  Cu1  1  0.33  0.0  0.0  1.0
  W  W2  1  0.97  0.0  0.62  1.0

Tl Cu W
Tl Cu W 0 1 o o o 1 2 o - - 