data_MgCuPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   4.23
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   99.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuPb2
_chemical_formula_sum   'Mg1 Cu1 Pb2'
_cell_volume   95.66
_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  Mg1  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.45  0.0  0.23  1.0
  Pb  Pb2  1  0.84  0.11  0.74  1.0
  Pb  Pb3  1  0.56  0.11  0.73  1.0

data_MgCuPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.23
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   99.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuPb2
_chemical_formula_sum   'Mg1 Cu1 Pb2'
_cell_volume   95.66
_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
  Cu  Cu1  1  0.45  0.0  0.23  1.0
  Pb  Pb2  1  0.56  0.11  0.73  1.0
  Pb  Pb3  1  0.84  0.11  0.74  1.0

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