data_TlBiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   143.7
_cell_angle_beta   143.7
_cell_angle_gamma   52.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBiW
_chemical_formula_sum   'Tl1 Bi1 W1'
_cell_volume   68.11
_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  0.0  0.34  1.0
  Bi  Bi0  1  0.0  0.0  0.21  1.0
  W  W2  1  0.0  0.0  0.87  1.0

data_TlBiW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   116.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlBiW
_chemical_formula_sum   'Tl2 Bi2 W2'
_cell_volume   136.22
_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  0.66  1.0
  Bi  Bi1  2  0.0  0.0  0.79  1.0
  W  W2  2  0.0  0.0  0.13  1.0

Tl Bi W