data_CdGe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   4.19
_cell_angle_alpha   106.91
_cell_angle_beta   106.91
_cell_angle_gamma   31.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGe2Se
_chemical_formula_sum   'Cd1 Ge2 Se1'
_cell_volume   90.06
_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  0.78  0.0  0.89  1.0
  Ge  Ge1  1  0.12  0.0  0.73  1.0
  Ge  Ge2  1  0.7  0.0  0.16  1.0
  Se  Se3  1  0.04  0.0  0.22  1.0

data_CdGe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.19
_cell_length_c   6.6
_cell_angle_alpha   106.91
_cell_angle_beta   105.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdGe2Se
_chemical_formula_sum   'Cd1 Ge2 Se1'
_cell_volume   90.06
_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  0.89  0.78  1.0
  Ge  Ge1  1  0.0  0.16  0.7  1.0
  Ge  Ge2  1  0.0  0.73  0.12  1.0
  Se  Se3  1  0.0  0.22  0.04  1.0

Cd Ge Ge Se