data_CdInSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   4.02
_cell_angle_alpha   93.53
_cell_angle_beta   93.53
_cell_angle_gamma   34.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInSe2
_chemical_formula_sum   'Cd1 In1 Se2'
_cell_volume   103.12
_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  0.61  0.0  0.33  1.0
  In  In1  1  0.81  0.0  0.65  1.0
  Se  Se2  1  0.05  0.0  0.33  1.0
  Se  Se3  1  0.5  0.0  0.71  1.0

data_CdInSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.02
_cell_length_c   6.75
_cell_angle_alpha   93.53
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInSe2
_chemical_formula_sum   'Cd1 In1 Se2'
_cell_volume   103.12
_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  0.0  0.33  0.61  1.0
  In  In1  1  0.0  0.65  0.81  1.0
  Se  Se2  1  0.0  0.33  0.05  1.0
  Se  Se3  1  0.0  0.71  0.5  1.0

Cd In Se Se