data_MgCd2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.19
_cell_length_b   10.19
_cell_length_c   10.19
_cell_angle_alpha   18.59
_cell_angle_beta   18.59
_cell_angle_gamma   18.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCd2In
_chemical_formula_sum   'Mg1 Cd2 In1'
_cell_volume   94.04
_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  0.0  0.0  0.63  1.0
  Cd  Cd1  1  0.0  0.0  0.41  1.0
  In  In2  1  0.0  0.0  0.02  1.0

data_MgCd2In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   3.29
_cell_length_c   10.19
_cell_angle_alpha   90.0
_cell_angle_beta   100.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCd2In
_chemical_formula_sum   'Mg2 Cd4 In2'
_cell_volume   188.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.37  1.0
  Cd  Cd2  2  0.0  0.0  0.59  1.0
  In  In3  2  0.0  0.0  0.98  1.0

Mg Cd Cd In
Mg Cd Cd In 0 3 o o o 1 2 o o o 