data_MgGePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   3.48
_cell_angle_alpha   91.16
_cell_angle_beta   91.16
_cell_angle_gamma   104.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGePb2
_chemical_formula_sum   'Mg1 Ge1 Pb2'
_cell_volume   104.66
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.43  0.0  0.0  1.0
  Pb  Pb2  1  0.66  0.2  0.74  1.0
  Pb  Pb3  1  0.66  0.8  0.74  1.0

data_MgGePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   104.11
_cell_angle_beta   91.16
_cell_angle_gamma   91.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGePb2
_chemical_formula_sum   'Mg1 Ge1 Pb2'
_cell_volume   104.66
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.43  0.0  1.0
  Pb  Pb2  1  0.74  0.66  0.2  1.0
  Pb  Pb3  1  0.74  0.66  0.8  1.0

Mg Ge Pb Pb