data_CdSiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   149.07
_cell_angle_beta   149.07
_cell_angle_gamma   44.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiSe
_chemical_formula_sum   'Cd1 Si1 Se1'
_cell_volume   65.77
_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  0.09  1.0
  Si  Si2  1  0.0  0.0  0.14  1.0
  Se  Se1  1  0.0  0.0  0.43  1.0

data_CdSiSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   112.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSiSe
_chemical_formula_sum   'Cd2 Si2 Se2'
_cell_volume   131.54
_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  0.91  1.0
  Si  Si1  2  0.0  0.0  0.86  1.0
  Se  Se2  2  0.0  0.0  0.57  1.0

Cd Si Se