data_BaMgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgP2
_chemical_formula_sum   'Ba1 Mg1 P2'
_cell_volume   87.1
_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
  Ba  Ba0  1  0.0  0.0  0.34  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.81  0.81  0.36  1.0
  P  P3  1  0.81  0.81  0.32  1.0

data_BaMgP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaMgP2
_chemical_formula_sum   'Ba2 Mg2 P4'
_cell_volume   174.2
_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
  Ba  Ba0  2  0.0  0.0  0.34  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.31  0.5  0.32  1.0
  P  P3  2  0.31  0.5  0.36  1.0

Ba Mg P P
BaMgP2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaMgP2 clusters. Ba(1) is bonded in a 2-coordinate geometry to one Mg(1), one P(1), and one P(2) atom. The Ba(1)-Mg(1) bond length is 2.28 Å. The Ba(1)-P(1) bond length is 1.00 Å. The Ba(1)-P(2) bond length is 1.00 Å. Mg(1) is bonded in a 2-coordinate geometry to one Ba(1) and one P(2) atom. The Mg(1)-P(2) bond length is 2.37 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one Ba(1) and one P(2) atom. The P(1)-P(2) bond length is 0.25 Å. In the second P site, P(2) is bonded in a distorted L-shaped geometry to one Ba(1), one Mg(1), and one P(1) atom.