data_Cd2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   4.41
_cell_angle_alpha   102.35
_cell_angle_beta   102.35
_cell_angle_gamma   26.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PtSe
_chemical_formula_sum   'Cd2 Pt1 Se1'
_cell_volume   85.99
_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  0.36  0.0  0.25  1.0
  Cd  Cd1  1  0.82  0.0  0.06  1.0
  Pt  Pt2  1  0.09  0.0  0.15  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Cd2PtSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.41
_cell_length_c   6.75
_cell_angle_alpha   102.35
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PtSe
_chemical_formula_sum   'Cd2 Pt1 Se1'
_cell_volume   85.99
_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  0.06  0.82  1.0
  Cd  Cd1  1  0.0  0.25  0.36  1.0
  Pt  Pt2  1  0.0  0.15  0.09  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cd Cd Pt Se
Cd Cd Pt Se 0 2 o o o 1 3 + o o 2 3 o o o 