data_Mn2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   137.28
_cell_angle_beta   137.28
_cell_angle_gamma   62.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PPb
_chemical_formula_sum   'Mn2 P1 Pb1'
_cell_volume   70.66
_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
  Mn  Mn0  1  0.0  0.0  0.61  1.0
  Mn  Mn1  1  0.0  0.96  0.3  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.96  0.0  0.3  1.0

data_Mn2PPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.38
_cell_angle_alpha   111.36
_cell_angle_beta   111.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2PPb
_chemical_formula_sum   'Mn2 P1 Pb1'
_cell_volume   70.66
_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
  Mn  Mn0  1  0.35  0.3  0.35  1.0
  Mn  Mn1  1  0.61  0.61  0.61  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.3  0.35  0.35  1.0

Mn Mn P Pb