data_SrFeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   153.66
_cell_angle_beta   131.27
_cell_angle_gamma   56.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeW2
_chemical_formula_sum   'Sr1 Fe1 W2'
_cell_volume   72.92
_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
  Sr  Sr1  1  0.0  0.0  0.32  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.49  0.16  1.0
  W  W3  1  0.38  0.0  0.17  1.0

data_SrFeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.98
_cell_length_c   6.04
_cell_angle_alpha   114.37
_cell_angle_beta   103.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrFeW2
_chemical_formula_sum   'Sr1 Fe1 W2'
_cell_volume   72.92
_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
  Sr  Sr0  1  0.68  0.68  0.68  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.21  0.83  0.21  1.0
  W  W3  1  0.84  0.33  0.33  1.0

Sr Fe W W
Sr Fe W W 0 2 o - o 0 2 o o + 0 1 o o o 1 2 o o o 1 2 o - - 1 3 o o o 2 2 o + + 2 3 o o o 2 3 o + + 