data_CaCd2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   4.92
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   98.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2In
_chemical_formula_sum   'Ca1 Cd2 In1'
_cell_volume   105.09
_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  0.21  0.0  0.57  1.0
  Cd  Cd1  1  0.94  0.46  0.03  1.0
  Cd  Cd2  1  0.38  0.0  0.51  1.0
  In  In3  1  0.86  0.46  0.05  1.0

data_CaCd2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.92
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   98.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2In
_chemical_formula_sum   'Ca1 Cd2 In1'
_cell_volume   105.09
_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  0.21  0.0  0.57  1.0
  Cd  Cd1  1  0.38  0.0  0.51  1.0
  Cd  Cd2  1  0.94  0.46  0.03  1.0
  In  In3  1  0.86  0.46  0.05  1.0

Ca Cd Cd In
Ca Cd Cd In 0 2 o o o 1 3 o o o 