data_MnGaP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   9.02
_cell_angle_alpha   18.02
_cell_angle_beta   18.02
_cell_angle_gamma   18.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaP2
_chemical_formula_sum   'Mn1 Ga1 P2'
_cell_volume   61.24
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.3  1.0
  P  P2  1  0.0  0.0  0.24  1.0
  P  P3  1  0.0  0.0  0.37  1.0

data_MnGaP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   2.82
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   100.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGaP2
_chemical_formula_sum   'Mn2 Ga2 P4'
_cell_volume   122.47
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.7  1.0
  P  P2  2  0.0  0.0  0.63  1.0
  P  P3  2  0.0  0.0  0.76  1.0

Mn Ga P P
Mn Ga P P 0 0 o + - 0 0 + - o 0 0 + o - 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 
MnGaP2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MnGaP2 clusters. Mn(1) is bonded in a single-bond geometry to one P(1) atom. The Mn(1)-P(1) bond length is 2.16 Å. Ga(1) is bonded in a linear geometry to one P(1) and one P(2) atom. The Ga(1)-P(1) bond length is 0.57 Å. The Ga(1)-P(2) bond length is 0.57 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a single-bond geometry to one Mn(1) and one Ga(1) atom. In the second P site, P(2) is bonded in a single-bond geometry to one Ga(1) atom.