data_TiGe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69
_cell_length_b   8.69
_cell_length_c   8.69
_cell_angle_alpha   19.59
_cell_angle_beta   19.59
_cell_angle_gamma   19.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGe2W
_chemical_formula_sum   'Ti1 Ge2 W1'
_cell_volume   64.65
_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  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.35  1.0
  Ge  Ge1  1  0.0  0.0  0.22  1.0
  W  W3  1  0.0  0.0  0.79  1.0

data_TiGe2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   2.96
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   101.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiGe2W
_chemical_formula_sum   'Ti2 Ge4 W2'
_cell_volume   129.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Ge  Ge1  2  0.0  0.0  0.65  1.0
  Ge  Ge2  2  0.0  0.0  0.78  1.0
  W  W3  2  0.0  0.0  0.21  1.0

Ti Ge Ge W