data_Mg2AgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.01
_cell_length_b   10.01
_cell_length_c   10.01
_cell_angle_alpha   19.18
_cell_angle_beta   19.18
_cell_angle_gamma   19.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AgPb
_chemical_formula_sum   'Mg2 Ag1 Pb1'
_cell_volume   94.72
_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  0.17  1.0
  Mg  Mg2  1  0.0  0.0  0.46  1.0
  Ag  Ag0  1  0.0  0.0  0.95  1.0
  Pb  Pb3  1  0.0  0.0  0.64  1.0

data_Mg2AgPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   3.34
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   101.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2AgPb
_chemical_formula_sum   'Mg4 Ag2 Pb2'
_cell_volume   189.43
_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  0.54  1.0
  Mg  Mg1  2  0.0  0.0  0.83  1.0
  Ag  Ag2  2  0.0  0.0  0.05  1.0
  Pb  Pb3  2  0.0  0.0  0.36  1.0

Mg Mg Ag Pb
Mg Mg Ag Pb 0 2 o o - 1 3 o o o 