data_MgP2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   4.04
_cell_angle_alpha   102.69
_cell_angle_beta   102.69
_cell_angle_gamma   36.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgP2Pb
_chemical_formula_sum   'Mg1 P2 Pb1'
_cell_volume   87.05
_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  0.66  0.0  0.68  1.0
  P  P1  1  0.2  0.0  0.3  1.0
  P  P2  1  0.35  0.0  0.57  1.0
  Pb  Pb3  1  0.45  0.0  0.36  1.0

data_MgP2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.04
_cell_length_c   6.12
_cell_angle_alpha   102.69
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgP2Pb
_chemical_formula_sum   'Mg1 P2 Pb1'
_cell_volume   87.05
_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  0.68  0.66  1.0
  P  P1  1  0.0  0.3  0.2  1.0
  P  P2  1  0.0  0.57  0.35  1.0
  Pb  Pb3  1  0.0  0.36  0.45  1.0

Mg P P Pb