data_Ca2MgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   4.84
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MgPb
_chemical_formula_sum   'Ca2 Mg1 Pb1'
_cell_volume   126.21
_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
  Ca  Ca0  1  0.0  0.0  0.7  1.0
  Ca  Ca1  1  0.88  0.42  0.93  1.0
  Mg  Mg2  1  0.0  0.0  0.45  1.0
  Pb  Pb3  1  0.88  0.42  0.24  1.0

data_Ca2MgPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.84
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2MgPb
_chemical_formula_sum   'Ca2 Mg1 Pb1'
_cell_volume   126.21
_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
  Ca  Ca0  1  0.0  0.0  0.7  1.0
  Ca  Ca1  1  0.88  0.42  0.93  1.0
  Mg  Mg2  1  0.0  0.0  0.45  1.0
  Pb  Pb3  1  0.88  0.42  0.24  1.0

Ca Ca Mg Pb
Ca Ca Mg Pb 0 2 o o o 1 3 o o + 2 3 - o o 