data_TiRe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   4.42
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   100.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRe2W
_chemical_formula_sum   'Ti1 Re2 W1'
_cell_volume   61.89
_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  0.91  0.0  0.52  1.0
  Re  Re0  1  0.06  0.0  0.07  1.0
  Re  Re1  1  0.81  0.21  0.3  1.0
  W  W3  1  0.94  0.21  0.82  1.0

data_TiRe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.42
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   100.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRe2W
_chemical_formula_sum   'Ti1 Re2 W1'
_cell_volume   61.89
_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  0.91  0.0  0.52  1.0
  Re  Re1  1  0.06  0.0  0.07  1.0
  Re  Re2  1  0.81  0.21  0.3  1.0
  W  W3  1  0.94  0.21  0.82  1.0

Ti Re Re W
Ti Re Re W 0 2 o o o 0 3 o o o 1 3 - o - 1 2 - o o 