data_MgPb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPb5
_chemical_formula_sum   'Mg1 Pb5'
_cell_volume   211.54
_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  Mg0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.25  0.0  0.01  1.0
  Pb  Pb2  1  0.06  0.83  0.01  1.0
  Pb  Pb3  1  0.88  0.68  0.01  1.0
  Pb  Pb4  1  0.18  0.84  0.0  1.0
  Pb  Pb5  1  0.0  0.68  0.0  1.0

data_MgPb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.03
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPb5
_chemical_formula_sum   'Mg1 Pb5'
_cell_volume   211.54
_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  Mg0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  -0.0  0.18  0.84  1.0
  Pb  Pb2  1  -0.0  0.0  0.68  1.0
  Pb  Pb3  1  0.01  0.06  0.83  1.0
  Pb  Pb4  1  0.01  0.25  0.0  1.0
  Pb  Pb5  1  0.01  0.88  0.68  1.0

Mg Pb Pb Pb Pb Pb
Mg Pb Pb Pb Pb Pb 0 2 o - o 1 4 o - o 2 5 o o o 2 4 o o o 3 5 + o o 