data_TiGe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.65
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   101.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGe2W
_chemical_formula_sum   'Ti1 Ge2 W1'
_cell_volume   64.34
_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  Ti2  1  0.83  0.0  0.34  1.0
  Ge  Ge0  1  0.84  0.0  0.72  1.0
  Ge  Ge1  1  0.95  0.32  0.38  1.0
  W  W3  1  0.95  0.32  0.81  1.0

data_TiGe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.65
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   101.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGe2W
_chemical_formula_sum   'Ti1 Ge2 W1'
_cell_volume   64.34
_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  0.83  0.0  0.34  1.0
  Ge  Ge1  1  0.84  0.0  0.72  1.0
  Ge  Ge2  1  0.95  0.32  0.38  1.0
  W  W3  1  0.95  0.32  0.81  1.0

Ti Ge Ge W
Ti Ge Ge W 0 2 o o o 0 1 o o o 1 3 o o o 