data_TlSb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   3.6
_cell_angle_alpha   91.85
_cell_angle_beta   91.85
_cell_angle_gamma   106.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSb2W
_chemical_formula_sum   'Tl1 Sb2 W1'
_cell_volume   91.15
_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  0.08  0.0  0.0  1.0
  Sb  Sb0  1  0.44  0.06  0.8  1.0
  Sb  Sb1  1  0.44  0.94  0.8  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_TlSb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   106.27
_cell_angle_beta   91.85
_cell_angle_gamma   91.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSb2W
_chemical_formula_sum   'Tl1 Sb2 W1'
_cell_volume   91.15
_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  -0.0  0.08  0.0  1.0
  Sb  Sb1  1  0.8  0.44  0.06  1.0
  Sb  Sb2  1  0.8  0.44  0.94  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Tl Sb Sb W