data_CuP2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuP2W
_chemical_formula_sum   'Cu1 P2 W1'
_cell_volume   55.24
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.56  0.56  0.49  1.0
  P  P2  1  0.56  0.56  0.16  1.0
  W  W3  1  0.0  0.0  0.82  1.0

data_CuP2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuP2W
_chemical_formula_sum   'Cu2 P4 W2'
_cell_volume   110.48
_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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  P  P1  2  0.06  0.5  0.16  1.0
  P  P2  2  0.06  0.5  0.49  1.0
  W  W3  2  0.0  0.0  0.82  1.0

Cu P P W
Cu P P W 0 3 o o - 0 2 - - o 1 2 o o o 
WCuP2 crystallizes in the monoclinic Cm space group. W(1) is bonded in a single-bond geometry to one Cu(1) and four equivalent P(1) atoms. The W(1)-Cu(1) bond length is 1.00 Å. There are a spread of W(1)-P(1) bond distances ranging from 2.71-3.14 Å. Cu(1) is bonded in a distorted single-bond geometry to one W(1) and four equivalent P(2) atoms. There are a spread of Cu(1)-P(2) bond distances ranging from 2.13-2.65 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 5-coordinate geometry to four equivalent W(1) and one P(2) atom. The P(1)-P(2) bond length is 1.85 Å. In the second P site, P(2) is bonded in a 5-coordinate geometry to four equivalent Cu(1) and one P(1) atom.