data_MgPa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPa
_chemical_formula_sum   'Mg1 Pa1'
_cell_volume   47.46
_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  0.0  0.0  0.0  1.0
  Pa  Pa1  1  0.52  0.52  0.56  1.0

data_MgPa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgPa
_chemical_formula_sum   'Mg2 Pa2'
_cell_volume   94.91
_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  0.0  0.0  0.0  1.0
  Pa  Pa1  2  0.02  0.5  0.56  1.0

Mg Pa
MgPa is beta-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to four equivalent Mg(1) and eight equivalent Pa(1) atoms to form MgMg4Pa8 cuboctahedra that share corners with twelve equivalent Mg(1)Mg4Pa8 cuboctahedra, edges with eight equivalent Mg(1)Mg4Pa8 cuboctahedra, edges with sixteen equivalent Pa(1)Mg8Pa4 cuboctahedra, faces with eight equivalent Pa(1)Mg8Pa4 cuboctahedra, and faces with ten equivalent Mg(1)Mg4Pa8 cuboctahedra. All Mg(1)-Mg(1) bond lengths are 3.05 Å. There are a spread of Mg(1)-Pa(1) bond distances ranging from 3.06-3.63 Å. Pa(1) is bonded to eight equivalent Mg(1) and four equivalent Pa(1) atoms to form PaMg8Pa4 cuboctahedra that share corners with twelve equivalent Pa(1)Mg8Pa4 cuboctahedra, edges with eight equivalent Pa(1)Mg8Pa4 cuboctahedra, edges with sixteen equivalent Mg(1)Mg4Pa8 cuboctahedra, faces with eight equivalent Mg(1)Mg4Pa8 cuboctahedra, and faces with ten equivalent Pa(1)Mg8Pa4 cuboctahedra. All Pa(1)-Pa(1) bond lengths are 3.05 Å.