data_CdP2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.69
_cell_length_b   11.69
_cell_length_c   11.69
_cell_angle_alpha   15.46
_cell_angle_beta   15.46
_cell_angle_gamma   15.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdP2Se
_chemical_formula_sum   'Cd1 P2 Se1'
_cell_volume   98.92
_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  0.0  0.47  1.0
  P  P1  1  0.0  0.0  0.89  1.0
  P  P2  1  0.0  0.0  0.25  1.0
  Se  Se3  1  0.0  0.0  0.35  1.0

data_CdP2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   3.15
_cell_length_c   11.69
_cell_angle_alpha   90.0
_cell_angle_beta   98.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdP2Se
_chemical_formula_sum   'Cd2 P4 Se2'
_cell_volume   197.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.53  1.0
  P  P1  2  0.0  0.0  0.11  1.0
  P  P2  2  0.0  0.0  0.75  1.0
  Se  Se3  2  0.0  0.0  0.65  1.0

Cd P P Se