data_Mg2BiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2BiP
_chemical_formula_sum   'Mg2 Bi1 P1'
_cell_volume   88.33
_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  Mg1  1  0.68  0.68  0.34  1.0
  Mg  Mg2  1  0.68  0.68  0.46  1.0
  Bi  Bi0  1  0.0  0.0  0.9  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Mg2BiP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2BiP
_chemical_formula_sum   'Mg4 Bi2 P2'
_cell_volume   176.65
_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  0.18  0.5  0.34  1.0
  Mg  Mg1  2  0.18  0.5  0.46  1.0
  Bi  Bi2  2  0.0  0.0  0.9  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Mg Mg Bi P
Mg Mg Bi P 0 1 o o o 2 3 o o + 
Mg2BiP crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg2BiP clusters. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted bent 150 degrees geometry to one Mg(2) and one P(1) atom. The Mg(1)-Mg(2) bond length is 0.91 Å. The Mg(1)-P(1) bond length is 3.07 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Mg(1) atom. Bi(1) is bonded in a single-bond geometry to one P(1) atom. The Bi(1)-P(1) bond length is 0.77 Å. P(1) is bonded in a single-bond geometry to one Mg(1) and one Bi(1) atom.