data_MgP2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   6.58
_cell_angle_alpha   106.7
_cell_angle_beta   106.7
_cell_angle_gamma   57.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgP2Pb
_chemical_formula_sum   'Mg1 P2 Pb1'
_cell_volume   86.22
_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
  P  P1  1  0.1  0.0  0.87  1.0
  P  P2  1  0.84  0.0  0.35  1.0
  Pb  Pb3  1  0.47  0.0  0.11  1.0

data_MgP2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.05
_cell_length_c   6.58
_cell_angle_alpha   106.7
_cell_angle_beta   90.0
_cell_angle_gamma   118.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgP2Pb
_chemical_formula_sum   'Mg1 P2 Pb1'
_cell_volume   86.22
_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
  P  P1  1  0.0  0.16  0.65  1.0
  P  P2  1  0.0  0.9  0.13  1.0
  Pb  Pb3  1  0.0  0.53  0.89  1.0

Mg P P Pb