data_BaTl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   3.14
_cell_angle_alpha   100.91
_cell_angle_beta   100.91
_cell_angle_gamma   116.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2W
_chemical_formula_sum   'Ba1 Tl2 W1'
_cell_volume   108.05
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.12  0.74  0.46  1.0
  Tl  Tl2  1  0.12  0.26  0.46  1.0
  W  W3  1  0.37  0.0  0.0  1.0

data_BaTl2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   6.32
_cell_length_c   6.44
_cell_angle_alpha   117.63
_cell_angle_beta   100.91
_cell_angle_gamma   96.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2W
_chemical_formula_sum   'Ba1 Tl2 W1'
_cell_volume   108.05
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.2  0.74  0.86  1.0
  Tl  Tl2  1  0.72  0.26  0.37  1.0
  W  W3  1  -0.0  0.0  0.37  1.0

Ba Tl Tl W