data_ScCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuP2
_chemical_formula_sum   'Sc1 Cu1 P2'
_cell_volume   61.62
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.69  1.0
  P  P1  1  0.69  0.69  0.84  1.0
  P  P2  1  0.69  0.69  0.53  1.0

data_ScCuP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCuP2
_chemical_formula_sum   'Sc2 Cu2 P4'
_cell_volume   123.25
_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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.69  1.0
  P  P2  2  0.19  0.5  0.53  1.0
  P  P3  2  0.19  0.5  0.84  1.0

Sc Cu P P
ScCuP2 crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a 2-coordinate geometry to one Cu(1), one P(1), and one P(2) atom. The Sc(1)-Cu(1) bond length is 1.69 Å. The Sc(1)-P(1) bond length is 1.70 Å. The Sc(1)-P(2) bond length is 3.21 Å. Cu(1) is bonded in a 3-coordinate geometry to one Sc(1), one P(1), and three equivalent P(2) atoms. The Cu(1)-P(1) bond length is 1.69 Å. There is one shorter (1.69 Å) and two longer (2.70 Å) Cu(1)-P(2) bond lengths. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one Sc(1), one Cu(1), and one P(2) atom. The P(1)-P(2) bond length is 1.66 Å. In the second P site, P(2) is bonded in a 5-coordinate geometry to one Sc(1), three equivalent Cu(1), and one P(1) atom.