data_ZnPtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   153.95
_cell_angle_beta   136.86
_cell_angle_gamma   51.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPtSe2
_chemical_formula_sum   'Zn1 Pt1 Se2'
_cell_volume   78.02
_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
  Zn  Zn3  1  0.0  0.0  0.47  1.0
  Pt  Pt0  1  0.0  0.35  0.96  1.0
  Se  Se1  1  0.0  0.0  0.96  1.0
  Se  Se2  1  0.44  0.0  0.67  1.0

data_ZnPtSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.7
_cell_length_c   6.39
_cell_angle_alpha   111.57
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPtSe2
_chemical_formula_sum   'Zn1 Pt1 Se2'
_cell_volume   78.02
_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
  Zn  Zn0  1  0.53  0.53  0.53  1.0
  Pt  Pt1  1  0.04  0.39  0.39  1.0
  Se  Se2  1  0.04  0.04  0.04  1.0
  Se  Se3  1  0.77  0.33  0.77  1.0

Zn Pt Se Se