data_Cd2GaAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   4.28
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaAgSe4
_chemical_formula_sum   'Cd2 Ga1 Ag1 Se4'
_cell_volume   227.27
_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  1.0  0.14  0.25  1.0
  Cd  Cd1  1  0.28  0.14  0.37  1.0
  Ga  Ga2  1  0.32  0.0  0.95  1.0
  Ag  Ag3  1  0.97  0.0  0.46  1.0
  Se  Se4  1  0.2  0.14  0.16  1.0
  Se  Se5  1  0.68  0.14  0.23  1.0
  Se  Se6  1  0.89  0.0  0.94  1.0
  Se  Se7  1  0.3  0.0  0.71  1.0

data_Cd2GaAgSe4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   7.05
_cell_length_c   7.52
_cell_angle_alpha   90.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaAgSe4
_chemical_formula_sum   'Cd2 Ga1 Ag1 Se4'
_cell_volume   227.27
_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  0.86  0.0  0.75  1.0
  Cd  Cd1  1  0.86  0.72  0.63  1.0
  Ga  Ga2  1  0.0  0.68  0.05  1.0
  Ag  Ag3  1  0.0  0.03  0.54  1.0
  Se  Se4  1  0.0  0.11  0.06  1.0
  Se  Se5  1  0.0  0.7  0.29  1.0
  Se  Se6  1  0.86  0.32  0.77  1.0
  Se  Se7  1  0.86  0.8  0.84  1.0

Cd Cd Ga Ag Se Se Se Se