data_Ti2OsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2OsW
_chemical_formula_sum   'Ti2 Os1 W1'
_cell_volume   61.59
_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  0.56  0.42  0.55  1.0
  Ti  Ti2  1  0.56  0.58  0.55  1.0
  Os  Os0  1  0.13  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Ti2OsW
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.11
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ti2OsW
_chemical_formula_sum   'Ti2 Os1 W1'
_cell_volume   61.59
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.55  0.42  0.56  1.0
  Os  Os1  1  -0.0  0.0  0.13  1.0
  W  W2  1  0.0  0.0  0.0  1.0

Ti Ti Os W