data_MgB2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   129.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgB2P
_chemical_formula_sum   'Mg1 B2 P1'
_cell_volume   58.68
_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  0.36  1.0
  B  B0  1  0.0  0.0  0.83  1.0
  B  B1  1  0.51  0.0  0.12  1.0
  P  P3  1  0.51  0.0  0.99  1.0

data_MgB2P
_symmetry_space_group_name_H-M   P2
_cell_length_a   3.01
_cell_length_b   6.12
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   115.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   MgB2P
_chemical_formula_sum   'Mg1 B2 P1'
_cell_volume   58.68
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.64  0.0  1.0
  B  B1  1  0.0  0.17  0.0  1.0
  B  B2  1  0.0  0.88  0.5  1.0
  P  P3  1  0.0  0.01  0.5  1.0

Mg B B P