data_Zn2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.45
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   104.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PtSe
_chemical_formula_sum   'Zn2 Pt1 Se1'
_cell_volume   76.4
_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  Zn2  1  0.78  0.22  0.67  1.0
  Zn  Zn3  1  0.45  0.0  0.77  1.0
  Pt  Pt0  1  0.81  0.22  0.92  1.0
  Se  Se1  1  0.45  0.0  0.15  1.0

data_Zn2PtSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.34
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PtSe
_chemical_formula_sum   'Zn2 Pt1 Se1'
_cell_volume   76.4
_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  0.22  0.33  0.78  1.0
  Zn  Zn1  1  0.55  0.23  0.0  1.0
  Pt  Pt2  1  0.19  0.08  0.78  1.0
  Se  Se3  1  0.55  0.85  0.0  1.0

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