data_CaMgCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.91
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgCd2
_chemical_formula_sum   'Ca1 Mg1 Cd2'
_cell_volume   102.59
_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  0.83  0.96  0.44  1.0
  Mg  Mg3  1  0.0  0.0  0.29  1.0
  Cd  Cd1  1  0.0  0.0  0.15  1.0
  Cd  Cd2  1  0.83  0.96  0.85  1.0

data_CaMgCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.91
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgCd2
_chemical_formula_sum   'Ca1 Mg1 Cd2'
_cell_volume   102.59
_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  0.83  0.96  0.44  1.0
  Mg  Mg1  1  0.0  0.0  0.29  1.0
  Cd  Cd2  1  0.0  0.0  0.15  1.0
  Cd  Cd3  1  0.83  0.96  0.85  1.0

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