data_Ti2SnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   141.81
_cell_angle_beta   130.18
_cell_angle_gamma   64.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SnW
_chemical_formula_sum   'Ti2 Sn1 W1'
_cell_volume   70.2
_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
  Ti  Ti1  1  0.0  0.24  0.43  1.0
  Ti  Ti2  1  0.0  0.0  0.68  1.0
  Sn  Sn0  1  0.0  0.0  0.28  1.0
  W  W3  1  0.0  0.24  0.11  1.0

data_Ti2SnW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.48
_cell_length_c   5.32
_cell_angle_alpha   114.91
_cell_angle_beta   109.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SnW
_chemical_formula_sum   'Ti2 Sn1 W1'
_cell_volume   70.2
_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
  Ti  Ti0  1  0.32  0.32  0.32  1.0
  Ti  Ti1  1  0.57  0.81  0.81  1.0
  Sn  Sn2  1  0.72  0.72  0.72  1.0
  W  W3  1  0.89  0.13  0.13  1.0

Ti Ti Sn W