data_CrCd2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   132.73
_cell_angle_beta   130.5
_cell_angle_gamma   70.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2In
_chemical_formula_sum   'Cr1 Cd2 In1'
_cell_volume   83.48
_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
  Cr  Cr2  1  0.0  0.0  0.36  1.0
  Cd  Cd0  1  0.0  0.0  0.71  1.0
  Cd  Cd1  1  0.14  0.0  0.21  1.0
  In  In3  1  0.0  0.24  0.14  1.0

data_CrCd2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.47
_cell_length_c   5.34
_cell_angle_alpha   114.75
_cell_angle_beta   113.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCd2In
_chemical_formula_sum   'Cr1 Cd2 In1'
_cell_volume   83.48
_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
  Cr  Cr0  1  0.64  0.64  0.64  1.0
  Cd  Cd1  1  0.29  0.29  0.29  1.0
  Cd  Cd2  1  0.93  0.79  0.93  1.0
  In  In3  1  0.86  0.09  0.09  1.0

Cr Cd Cd In
Cr Cd Cd In 0 2 o o o 0 1 o o o 1 3 o o + 2 3 o o o 