data_Tl2CoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CoW
_chemical_formula_sum   'Tl2 Co1 W1'
_cell_volume   80.43
_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  0.53  0.53  0.11  1.0
  Tl  Tl2  1  0.0  0.0  0.49  1.0
  Co  Co0  1  0.0  0.0  0.97  1.0
  W  W3  1  0.53  0.53  0.77  1.0

data_Tl2CoW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CoW
_chemical_formula_sum   'Tl4 Co2 W2'
_cell_volume   160.86
_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  0.49  1.0
  Tl  Tl1  2  0.03  0.5  0.11  1.0
  Co  Co2  2  0.0  0.0  0.97  1.0
  W  W3  2  0.03  0.5  0.77  1.0

Tl Tl Co W
Tl Tl Co W 0 2 o o - 0 2 o + - 0 2 + o - 0 2 + + - 0 3 o o - 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 1 + o o 1 1 o + o 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 