data_MgAl2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2P
_chemical_formula_sum   'Mg1 Al2 P1'
_cell_volume   70.54
_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  Mg2  1  0.0  0.0  0.03  1.0
  Al  Al0  1  0.0  0.0  0.85  1.0
  Al  Al1  1  0.71  0.71  0.33  1.0
  P  P3  1  0.71  0.71  0.89  1.0

data_MgAl2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgAl2P
_chemical_formula_sum   'Mg2 Al4 P2'
_cell_volume   141.09
_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  0.03  1.0
  Al  Al1  2  0.0  0.0  0.85  1.0
  Al  Al2  2  0.21  0.5  0.33  1.0
  P  P3  2  0.21  0.5  0.89  1.0

Mg Al Al P
Mg Al Al P 0 1 o o - 0 2 - - o 0 3 - - - 1 3 - - o 2 3 o o - 