data_MgCdIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   131.98
_cell_angle_beta   131.98
_cell_angle_gamma   70.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdIn2
_chemical_formula_sum   'Mg1 Cd1 In2'
_cell_volume   96.54
_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  Mg3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.29  0.0  0.3  1.0
  In  In1  1  0.0  0.0  0.6  1.0
  In  In2  1  0.0  0.29  0.3  1.0

data_MgCdIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.63
_cell_angle_alpha   114.01
_cell_angle_beta   114.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdIn2
_chemical_formula_sum   'Mg1 Cd1 In2'
_cell_volume   96.54
_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
  Cd  Cd1  1  0.3  0.01  0.01  1.0
  In  In2  1  0.01  0.3  0.01  1.0
  In  In3  1  0.6  0.6  0.6  1.0

Mg Cd In In