data_Cd2BiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05
_cell_length_b   8.05
_cell_length_c   8.05
_cell_angle_alpha   28.76
_cell_angle_beta   28.76
_cell_angle_gamma   28.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiSe
_chemical_formula_sum   'Cd2 Bi1 Se1'
_cell_volume   106.71
_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  Cd1  1  0.0  0.0  0.1  1.0
  Cd  Cd2  1  0.0  0.0  0.04  1.0
  Bi  Bi0  1  0.0  0.0  0.57  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cd2BiSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   4.0
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   106.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2BiSe
_chemical_formula_sum   'Cd4 Bi2 Se2'
_cell_volume   213.43
_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  0.9  1.0
  Cd  Cd1  2  0.0  0.0  0.96  1.0
  Bi  Bi2  2  0.0  0.0  0.43  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Cd Cd Bi Se
Cd Cd Bi Se 0 1 o o o 0 2 o o o 0 2 o o - 1 3 o o o 1 2 o o o 1 2 o o - 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 2 3 + o o 2 3 o + o 2 3 o o + 