data_Cd2InSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.2
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   105.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InSe
_chemical_formula_sum   'Cd2 In1 Se1'
_cell_volume   101.72
_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  0.85  0.1  0.49  1.0
  Cd  Cd1  1  0.56  0.1  0.49  1.0
  In  In2  1  0.21  0.0  0.99  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   4.05
_cell_length_b   4.2
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   105.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2InSe
_chemical_formula_sum   'Cd2 In1 Se1'
_cell_volume   101.72
_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  0.56  0.1  0.49  1.0
  Cd  Cd1  1  0.85  0.1  0.49  1.0
  In  In2  1  0.21  0.0  0.99  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cd Cd In Se