data_Cd2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   4.68
_cell_angle_alpha   110.21
_cell_angle_beta   110.21
_cell_angle_gamma   25.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PtSe
_chemical_formula_sum   'Cd2 Pt1 Se1'
_cell_volume   86.48
_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  0.34  0.0  0.33  1.0
  Cd  Cd1  1  0.1  0.0  0.35  1.0
  Pt  Pt2  1  0.82  0.0  0.21  1.0
  Se  Se3  1  0.35  0.0  0.07  1.0

data_Cd2PtSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.68
_cell_length_c   6.72
_cell_angle_alpha   110.21
_cell_angle_beta   102.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PtSe
_chemical_formula_sum   'Cd2 Pt1 Se1'
_cell_volume   86.48
_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  0.33  0.34  1.0
  Cd  Cd1  1  0.0  0.35  0.1  1.0
  Pt  Pt2  1  0.0  0.21  0.82  1.0
  Se  Se3  1  0.0  0.07  0.35  1.0

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