data_MgMo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   143.34
_cell_angle_beta   130.87
_cell_angle_gamma   62.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMo2Pb
_chemical_formula_sum   'Mg1 Mo2 Pb1'
_cell_volume   73.21
_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  0.0  0.28  0.33  1.0
  Mo  Mo2  1  0.72  0.0  0.34  1.0
  Pb  Pb3  1  0.0  0.0  0.67  1.0

data_MgMo2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.55
_cell_length_c   5.47
_cell_angle_alpha   114.57
_cell_angle_beta   108.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMo2Pb
_chemical_formula_sum   'Mg1 Mo2 Pb1'
_cell_volume   73.21
_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  0.38  0.66  0.38  1.0
  Mo  Mo2  1  0.67  0.95  0.95  1.0
  Pb  Pb3  1  0.33  0.33  0.33  1.0

Mg Mo Mo Pb