data_Mg2SnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2SnP
_chemical_formula_sum   'Mg2 Sn1 P1'
_cell_volume   83.1
_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
  Mg  Mg0  1  0.64  0.64  0.2  1.0
  Mg  Mg1  1  0.64  0.64  0.55  1.0
  Sn  Sn3  1  0.0  0.0  0.88  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Mg2SnP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2SnP
_chemical_formula_sum   'Mg4 Sn2 P2'
_cell_volume   166.2
_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
  Mg  Mg0  2  0.14  0.5  0.2  1.0
  Mg  Mg1  2  0.14  0.5  0.55  1.0
  Sn  Sn2  2  0.0  0.0  0.88  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Mg Mg Sn P
Mg Mg Sn P 0 3 o + o 0 3 + o o 0 3 + + o 0 2 + + - 0 1 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 2 3 o o + 
Mg2SnP crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 1-coordinate geometry to one Mg(2) and three equivalent P(1) atoms. The Mg(1)-Mg(2) bond length is 2.66 Å. There is one shorter (2.31 Å) and two longer (2.87 Å) Mg(1)-P(1) bond lengths. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one Mg(1), four equivalent Mg(2), and three equivalent Sn(1) atoms. All Mg(2)-Mg(2) bond lengths are 3.27 Å. There is one shorter (3.05 Å) and two longer (3.50 Å) Mg(2)-Sn(1) bond lengths. Sn(1) is bonded in a single-bond geometry to three equivalent Mg(2) and one P(1) atom. The Sn(1)-P(1) bond length is 0.96 Å. P(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one Sn(1) atom.