data_Mg2NiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.04
_cell_angle_alpha   111.32
_cell_angle_beta   111.32
_cell_angle_gamma   35.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NiPb
_chemical_formula_sum   'Mg2 Ni1 Pb1'
_cell_volume   81.68
_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  0.36  0.0  0.05  1.0
  Mg  Mg1  1  0.59  0.0  0.47  1.0
  Ni  Ni2  1  0.4  0.0  0.03  1.0
  Pb  Pb3  1  0.78  0.0  0.45  1.0

data_Mg2NiPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.04
_cell_length_c   5.47
_cell_angle_alpha   111.32
_cell_angle_beta   107.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NiPb
_chemical_formula_sum   'Mg2 Ni1 Pb1'
_cell_volume   81.68
_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  0.05  0.36  1.0
  Mg  Mg1  1  0.0  0.47  0.59  1.0
  Ni  Ni2  1  0.0  0.03  0.4  1.0
  Pb  Pb3  1  0.0  0.45  0.78  1.0

Mg Mg Ni Pb