data_Ti2GeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   136.57
_cell_angle_beta   136.57
_cell_angle_gamma   63.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GeW
_chemical_formula_sum   'Ti2 Ge1 W1'
_cell_volume   63.69
_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  0.91  0.19  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.39  1.0
  W  W3  1  0.91  0.0  0.19  1.0

data_Ti2GeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   5.15
_cell_angle_alpha   111.72
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GeW
_chemical_formula_sum   'Ti2 Ge1 W1'
_cell_volume   63.69
_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  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.29  0.19  0.29  1.0
  Ge  Ge2  1  0.39  0.39  0.39  1.0
  W  W3  1  0.19  0.29  0.29  1.0

Ti Ti Ge W