data_Sr2CuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuW
_chemical_formula_sum   'Sr2 Cu1 W1'
_cell_volume   97.91
_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  0.26  0.0  0.25  1.0
  Sr  Sr2  1  0.26  0.0  0.12  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.69  1.0

data_Sr2CuW
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2CuW
_chemical_formula_sum   'Sr2 Cu1 W1'
_cell_volume   97.93
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.26  0.0  0.12  1.0
  Sr  Sr1  1  0.26  0.0  0.25  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.69  1.0

Sr Sr Cu W
Sr2WCu crystallizes in the monoclinic Pm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Sr(2) and one W(1) atom. The Sr(1)-Sr(2) bond length is 1.18 Å. The Sr(1)-W(1) bond length is 4.18 Å. In the second Sr site, Sr(2) is bonded in a distorted single-bond geometry to one Sr(1) and one Cu(1) atom. The Sr(2)-Cu(1) bond length is 1.44 Å. W(1) is bonded to one Sr(1), four equivalent W(1), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing WSrCuW4 octahedra. The corner-sharing octahedra are not tilted. All W(1)-W(1) bond lengths are 3.23 Å. The W(1)-Cu(1) bond length is 2.93 Å. Cu(1) is bonded in a distorted single-bond geometry to one Sr(2) and one W(1) atom.