data_Cd2InSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InSe
_chemical_formula_sum   'Cd2 In1 Se1'
_cell_volume   97.94
_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
  Cd  Cd0  1  0.48  0.11  0.97  1.0
  Cd  Cd1  1  0.48  0.89  0.97  1.0
  In  In2  1  0.95  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cd2InSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   110.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InSe
_chemical_formula_sum   'Cd2 In1 Se1'
_cell_volume   97.94
_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
  Cd  Cd0  1  0.97  0.48  0.11  1.0
  Cd  Cd1  1  0.97  0.48  0.89  1.0
  In  In2  1  0.0  0.95  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cd Cd In Se