data_Ca2CdIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   5.63
_cell_angle_alpha   107.58
_cell_angle_beta   107.58
_cell_angle_gamma   34.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CdIn
_chemical_formula_sum   'Ca2 Cd1 In1'
_cell_volume   117.88
_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  0.16  0.0  0.27  1.0
  Ca  Ca1  1  0.5  0.0  0.72  1.0
  Cd  Cd2  1  0.8  0.0  0.83  1.0
  In  In3  1  0.86  0.0  0.19  1.0

data_Ca2CdIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   5.63
_cell_length_c   6.27
_cell_angle_alpha   107.58
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CdIn
_chemical_formula_sum   'Ca2 Cd1 In1'
_cell_volume   117.88
_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  0.0  0.27  0.16  1.0
  Ca  Ca1  1  0.0  0.72  0.5  1.0
  Cd  Cd2  1  0.0  0.83  0.8  1.0
  In  In3  1  0.0  0.19  0.86  1.0

Ca Ca Cd In