data_BaSn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   3.12
_cell_angle_alpha   93.8
_cell_angle_beta   93.8
_cell_angle_gamma   114.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2W
_chemical_formula_sum   'Ba1 Sn2 W1'
_cell_volume   102.72
_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
  Sn  Sn1  1  0.44  0.46  0.55  1.0
  Sn  Sn2  1  0.44  0.54  0.55  1.0
  W  W3  1  0.26  0.0  0.0  1.0

data_BaSn2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   114.61
_cell_angle_beta   93.8
_cell_angle_gamma   93.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2W
_chemical_formula_sum   'Ba1 Sn2 W1'
_cell_volume   102.72
_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
  Sn  Sn1  1  0.55  0.44  0.46  1.0
  Sn  Sn2  1  0.55  0.44  0.54  1.0
  W  W3  1  0.0  0.26  0.0  1.0

Ba Sn Sn W