data_BaTlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   8.22
_cell_length_c   3.13
_cell_angle_alpha   79.79
_cell_angle_beta   78.34
_cell_angle_gamma   21.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTlW
_chemical_formula_sum   'Ba1 Tl1 W1'
_cell_volume   77.45
_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  0.13  0.28  0.11  1.0
  Tl  Tl1  1  0.13  0.28  0.01  1.0
  W  W2  1  0.13  0.28  0.75  1.0

data_BaTlW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.27
_cell_length_b   15.88
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   133.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTlW
_chemical_formula_sum   'Ba2 Tl2 W2'
_cell_volume   154.91
_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
  Ba  Ba0  2  0.13  0.0  0.25  1.0
  Tl  Tl1  2  0.13  0.0  0.15  1.0
  W  W2  2  0.13  0.0  0.89  1.0

Ba Tl W