data_CrCdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   3.97
_cell_angle_alpha   94.07
_cell_angle_beta   94.07
_cell_angle_gamma   30.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdSe2
_chemical_formula_sum   'Cr1 Cd1 Se2'
_cell_volume   93.97
_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
  Cr  Cr1  1  0.8  0.0  0.03  1.0
  Cd  Cd0  1  0.78  0.0  0.7  1.0
  Se  Se2  1  0.24  0.0  0.59  1.0
  Se  Se3  1  0.41  0.0  0.59  1.0

data_CrCdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.97
_cell_length_c   6.83
_cell_angle_alpha   94.07
_cell_angle_beta   105.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdSe2
_chemical_formula_sum   'Cr1 Cd1 Se2'
_cell_volume   93.97
_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
  Cr  Cr0  1  0.0  0.03  0.8  1.0
  Cd  Cd1  1  0.0  0.7  0.78  1.0
  Se  Se2  1  0.0  0.59  0.24  1.0
  Se  Se3  1  0.0  0.59  0.41  1.0

Cr Cd Se Se