data_ZrGa2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   5.03
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   95.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2P
_chemical_formula_sum   'Zr1 Ga2 P1'
_cell_volume   71.05
_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
  Zr  Zr3  1  0.28  0.0  0.34  1.0
  Ga  Ga0  1  0.37  0.52  0.14  1.0
  Ga  Ga1  1  0.18  0.52  0.54  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_ZrGa2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.7
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2P
_chemical_formula_sum   'Zr1 Ga2 P1'
_cell_volume   71.05
_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
  Zr  Zr0  1  0.72  0.66  0.0  1.0
  Ga  Ga1  1  0.63  0.86  0.48  1.0
  Ga  Ga2  1  0.82  0.46  0.48  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Zr Ga Ga P
Zr Ga Ga P 0 3 o o o 1 2 o o o 
ZrGa2P crystallizes in the triclinic P1 space group. Zr(1) is bonded in a single-bond geometry to two equivalent Ga(1), two equivalent Ga(2), and one P(1) atom. There is one shorter (2.64 Å) and one longer (2.79 Å) Zr(1)-Ga(1) bond length. There is one shorter (2.64 Å) and one longer (2.79 Å) Zr(1)-Ga(2) bond length. The Zr(1)-P(1) bond length is 1.73 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Ga(1), three equivalent Ga(2), and two equivalent P(1) atoms. Both Ga(1)-Ga(1) bond lengths are 3.02 Å. There are a spread of Ga(1)-Ga(2) bond distances ranging from 2.03-2.94 Å. There is one shorter (2.74 Å) and one longer (2.88 Å) Ga(1)-P(1) bond length. In the second Ga site, Ga(2) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and three equivalent Ga(1) atoms. P(1) is bonded in a single-bond geometry to one Zr(1) and two equivalent Ga(1) atoms.