data_TiReW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   144.99
_cell_angle_beta   129.37
_cell_angle_gamma   63.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiReW2
_chemical_formula_sum   'Ti1 Re1 W2'
_cell_volume   62.79
_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  0.0  0.22  1.0
  Re  Re0  1  0.0  0.24  0.43  1.0
  W  W2  1  0.0  0.24  0.03  1.0
  W  W3  1  0.0  0.0  0.7  1.0

data_TiReW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.47
_cell_length_c   5.23
_cell_angle_alpha   115.31
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiReW2
_chemical_formula_sum   'Ti1 Re1 W2'
_cell_volume   62.79
_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  0.22  0.22  1.0
  Re  Re1  1  0.76  0.2  0.2  1.0
  W  W2  1  0.0  0.7  0.7  1.0
  W  W3  1  0.76  0.79  0.79  1.0

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