data_TlAsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   129.15
_cell_angle_beta   129.15
_cell_angle_gamma   74.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAsW2
_chemical_formula_sum   'Tl1 As1 W2'
_cell_volume   72.4
_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  0.14  0.0  0.98  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.0  0.96  1.0
  W  W3  1  0.0  0.14  0.98  1.0

data_TlAsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   4.98
_cell_angle_alpha   115.43
_cell_angle_beta   115.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAsW2
_chemical_formula_sum   'Tl1 As1 W2'
_cell_volume   72.4
_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  0.98  0.84  0.84  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.84  0.98  0.84  1.0
  W  W3  1  0.96  0.96  0.96  1.0

Tl As W W