data_CdGeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.01
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   98.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGeSe2
_chemical_formula_sum   'Cd1 Ge1 Se2'
_cell_volume   92.44
_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  0.42  0.0  0.96  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.97  0.0  0.96  1.0
  Se  Se3  1  0.78  0.0  0.95  1.0

data_CdGeSe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.91
_cell_length_b   4.01
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   98.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CdGeSe2
_chemical_formula_sum   'Cd1 Ge1 Se2'
_cell_volume   92.44
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.42  0.0  0.96  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.78  0.0  0.95  1.0
  Se  Se3  1  0.97  0.0  0.96  1.0

Cd Ge Se Se