data_Mg2NbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   5.18
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   94.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbPb
_chemical_formula_sum   'Mg2 Nb1 Pb1'
_cell_volume   87.18
_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  0.03  0.0  0.06  1.0
  Mg  Mg1  1  0.2  0.59  0.43  1.0
  Nb  Nb2  1  0.21  0.0  0.81  1.0
  Pb  Pb3  1  0.4  0.59  0.14  1.0

data_Mg2NbPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.18
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   94.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbPb
_chemical_formula_sum   'Mg2 Nb1 Pb1'
_cell_volume   87.18
_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  0.03  0.0  0.06  1.0
  Mg  Mg1  1  0.2  0.59  0.43  1.0
  Nb  Nb2  1  0.21  0.0  0.81  1.0
  Pb  Pb3  1  0.4  0.59  0.14  1.0

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