data_MgMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMo2Pb
_chemical_formula_sum   'Mg1 Mo2 Pb1'
_cell_volume   75.44
_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
  Mo  Mo1  1  0.79  0.79  0.23  1.0
  Mo  Mo2  1  0.79  0.79  0.66  1.0
  Pb  Pb3  1  0.0  0.0  0.94  1.0

data_MgMo2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgMo2Pb
_chemical_formula_sum   'Mg2 Mo4 Pb2'
_cell_volume   150.89
_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
  Mo  Mo1  2  0.29  0.5  0.23  1.0
  Mo  Mo2  2  0.29  0.5  0.66  1.0
  Pb  Pb3  2  0.0  0.0  0.94  1.0

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