data_MgIn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Pb
_chemical_formula_sum   'Mg1 In2 Pb1'
_cell_volume   109.65
_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  Mg2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.69  0.0  0.89  1.0
  In  In1  1  0.0  0.69  0.89  1.0
  Pb  Pb3  1  0.69  0.69  0.0  1.0

data_MgIn2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgIn2Pb
_chemical_formula_sum   'Mg2 In4 Pb2'
_cell_volume   219.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  In  In1  4  0.35  0.35  0.89  1.0
  Pb  Pb2  2  0.19  0.5  0.0  1.0

Mg In In Pb
Mg In In Pb 0 1 - o - 0 2 o - - 1 3 o - + 2 3 - o + 