data_Tl2CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   134.49
_cell_angle_beta   134.49
_cell_angle_gamma   66.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CuW
_chemical_formula_sum   'Tl2 Cu1 W1'
_cell_volume   76.79
_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  0.0  0.07  0.24  1.0
  Tl  Tl2  1  0.07  0.0  0.24  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.48  1.0

data_Tl2CuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   123.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CuW
_chemical_formula_sum   'Tl4 Cu2 W2'
_cell_volume   153.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.47  0.47  0.17  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.0  0.0  0.48  1.0

Tl Tl Cu W
Tl Tl Cu W 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 