data_Mg2MoPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.47
_cell_angle_alpha   95.18
_cell_angle_beta   95.18
_cell_angle_gamma   32.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MoPb
_chemical_formula_sum   'Mg2 Mo1 Pb1'
_cell_volume   82.13
_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  0.07  1.0
  Mg  Mg1  1  0.6  0.0  0.42  1.0
  Mo  Mo2  1  0.82  0.0  0.67  1.0
  Pb  Pb3  1  0.11  0.0  0.01  1.0

data_Mg2MoPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.31
_cell_length_c   5.47
_cell_angle_alpha   95.18
_cell_angle_beta   90.0
_cell_angle_gamma   106.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MoPb
_chemical_formula_sum   'Mg2 Mo1 Pb1'
_cell_volume   82.13
_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  0.4  0.58  1.0
  Mg  Mg1  1  0.0  1.0  0.93  1.0
  Mo  Mo2  1  0.0  0.18  0.33  1.0
  Pb  Pb3  1  0.0  0.89  0.99  1.0

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