data_Sr2FeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2FeW
_chemical_formula_sum   'Sr2 Fe1 W1'
_cell_volume   94.63
_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  0.53  0.53  0.47  1.0
  Sr  Sr2  1  0.53  0.53  0.69  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.08  1.0

data_Sr2FeW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   10.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2FeW
_chemical_formula_sum   'Sr4 Fe2 W2'
_cell_volume   189.27
_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
  Sr  Sr0  2  0.03  0.5  0.47  1.0
  Sr  Sr1  2  0.03  0.5  0.69  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.08  1.0

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