data_TlCu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   150.32
_cell_angle_beta   127.54
_cell_angle_gamma   61.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu2W
_chemical_formula_sum   'Tl1 Cu2 W1'
_cell_volume   66.9
_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  0.0  0.0  0.78  1.0
  Cu  Cu0  1  0.0  0.46  0.53  1.0
  Cu  Cu1  1  0.42  0.0  0.25  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_TlCu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.91
_cell_length_c   5.56
_cell_angle_alpha   116.23
_cell_angle_beta   104.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu2W
_chemical_formula_sum   'Tl1 Cu2 W1'
_cell_volume   66.9
_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  0.22  0.22  0.22  1.0
  Cu  Cu1  1  0.18  0.75  0.18  1.0
  Cu  Cu2  1  0.47  0.92  0.92  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Tl Cu Cu W