data_CuP6Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.54
_cell_length_c   5.74
_cell_angle_alpha   65.26
_cell_angle_beta   68.67
_cell_angle_gamma   77.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuP6Pt
_chemical_formula_sum   'Cu1 P6 Pt1'
_cell_volume   141.41
_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  0.87  0.4  0.04  1.0
  P  P2  1  0.69  0.0  0.92  1.0
  P  P3  1  0.15  0.36  0.84  1.0
  P  P4  1  0.41  0.05  0.12  1.0
  P  P5  1  0.38  0.58  0.0  1.0
  P  P6  1  0.18  0.82  0.96  1.0
  Pt  Pt7  1  0.28  0.7  0.48  1.0

data_CuP6Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   5.54
_cell_length_c   5.74
_cell_angle_alpha   65.26
_cell_angle_beta   68.67
_cell_angle_gamma   77.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuP6Pt
_chemical_formula_sum   'Cu1 P6 Pt1'
_cell_volume   141.41
_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  0.15  0.36  0.84  1.0
  P  P2  1  0.18  0.82  0.96  1.0
  P  P3  1  0.38  0.58  0.0  1.0
  P  P4  1  0.41  0.05  0.12  1.0
  P  P5  1  0.69  0.0  0.92  1.0
  P  P6  1  0.87  0.4  0.04  1.0
  Pt  Pt7  1  0.28  0.7  0.48  1.0

Cu P P P P P P Pt
PtCuP6 crystallizes in the triclinic P1 space group. Pt(1) is bonded in a distorted linear geometry to one P(3) and one P(4) atom. The Pt(1)-P(3) bond length is 2.15 Å. The Pt(1)-P(4) bond length is 2.15 Å. Cu(1) is bonded in a 1-coordinate geometry to one P(1), one P(2), one P(3), and one P(6) atom. The Cu(1)-P(1) bond length is 2.25 Å. The Cu(1)-P(2) bond length is 1.85 Å. The Cu(1)-P(3) bond length is 2.00 Å. The Cu(1)-P(6) bond length is 1.24 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one Cu(1), one P(3), and one P(5) atom. The P(1)-P(3) bond length is 1.55 Å. The P(1)-P(5) bond length is 2.62 Å. In the second P site, P(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom. The P(2)-P(4) bond length is 1.55 Å. In the third P site, P(3) is bonded in a 5-coordinate geometry to one Pt(1), one Cu(1), one P(1), one P(4), and one P(5) atom. The P(3)-P(4) bond length is 2.36 Å. The P(3)-P(5) bond length is 2.51 Å. In the fourth P site, P(4) is bonded in a 2-coordinate geometry to one Pt(1), one P(2), and one P(3) atom. In the fifth P site, P(5) is bonded in a distorted single-bond geometry to one P(1), one P(3), and one P(6) atom. The P(5)-P(6) bond length is 1.52 Å. In the sixth P site, P(6) is bonded in a distorted single-bond geometry to one Cu(1) and one P(5) atom.