data_MgFePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   6.11
_cell_angle_alpha   103.61
_cell_angle_beta   103.61
_cell_angle_gamma   42.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFePb2
_chemical_formula_sum   'Mg1 Fe1 Pb2'
_cell_volume   93.83
_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  Mg1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.77  0.0  0.96  1.0
  Pb  Pb2  1  0.51  0.0  0.66  1.0
  Pb  Pb3  1  0.03  0.0  0.25  1.0

data_MgFePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.86
_cell_length_c   6.11
_cell_angle_alpha   103.61
_cell_angle_beta   90.0
_cell_angle_gamma   111.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFePb2
_chemical_formula_sum   'Mg1 Fe1 Pb2'
_cell_volume   93.83
_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
  Fe  Fe1  1  0.0  0.23  0.04  1.0
  Pb  Pb2  1  0.0  0.49  0.34  1.0
  Pb  Pb3  1  0.0  0.97  0.75  1.0

Mg Fe Pb Pb