data_TlCu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34
_cell_length_b   9.34
_cell_length_c   9.34
_cell_angle_alpha   17.86
_cell_angle_beta   17.86
_cell_angle_gamma   17.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu2W
_chemical_formula_sum   'Tl1 Cu2 W1'
_cell_volume   66.93
_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  0.79  1.0
  Cu  Cu0  1  0.0  0.0  0.5  1.0
  Cu  Cu1  1  0.0  0.0  0.07  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_TlCu2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   2.9
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   100.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCu2W
_chemical_formula_sum   'Tl2 Cu4 W2'
_cell_volume   133.86
_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  2  0.0  0.0  0.21  1.0
  Cu  Cu1  2  0.0  0.0  0.5  1.0
  Cu  Cu2  2  0.0  0.0  0.93  1.0
  W  W3  2  0.0  0.0  0.0  1.0

Tl Cu Cu W