data_BaSnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnW
_chemical_formula_sum   'Ba1 Sn1 W1'
_cell_volume   78.84
_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  1.0  0.09  0.59  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.67  0.54  0.0  1.0

data_BaSnW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnW
_chemical_formula_sum   'Ba1 Sn1 W1'
_cell_volume   78.84
_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  0.59  1.0  0.09  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  W  W2  1  -0.0  0.67  0.54  1.0

Ba Sn W
Ba Sn W 0 1 + o + 1 2 - - o 