data_GaCu2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.26
_cell_angle_alpha   93.26
_cell_angle_beta   93.26
_cell_angle_gamma   34.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2P
_chemical_formula_sum   'Ga1 Cu2 P1'
_cell_volume   55.06
_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
  Ga  Ga2  1  0.51  0.0  0.18  1.0
  Cu  Cu0  1  0.12  0.0  0.02  1.0
  Cu  Cu1  1  0.14  0.0  0.21  1.0
  P  P3  1  0.79  0.0  0.97  1.0

data_GaCu2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.26
_cell_length_c   4.8
_cell_angle_alpha   93.26
_cell_angle_beta   107.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2P
_chemical_formula_sum   'Ga1 Cu2 P1'
_cell_volume   55.06
_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
  Ga  Ga0  1  0.0  0.18  0.51  1.0
  Cu  Cu1  1  0.0  0.02  0.12  1.0
  Cu  Cu2  1  0.0  0.21  0.14  1.0
  P  P3  1  0.0  0.97  0.79  1.0

Ga Cu Cu P
Ga Cu Cu P 0 1 o o o 0 2 o o o 0 3 o o - 1 2 o o o 1 3 - o - 
Cu2GaP crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cu2GaP cluster. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted water-like geometry to one Cu(2) and one P(1) atom. The Cu(1)-Cu(2) bond length is 0.80 Å. The Cu(1)-P(1) bond length is 1.56 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one Cu(1) atom. Ga(1) is bonded in a 1-coordinate geometry to one P(1) atom. The Ga(1)-P(1) bond length is 1.66 Å. P(1) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one Ga(1) atom.