data_Ge2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   3.91
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   109.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PtSe
_chemical_formula_sum   'Ge2 Pt1 Se1'
_cell_volume   77.85
_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
  Ge  Ge0  1  0.64  0.95  0.26  1.0
  Ge  Ge1  1  0.13  0.0  0.1  1.0
  Pt  Pt2  1  0.44  0.95  0.23  1.0
  Se  Se3  1  0.8  0.0  0.28  1.0

data_Ge2PtSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.58
_cell_length_c   4.61
_cell_angle_alpha   109.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2PtSe
_chemical_formula_sum   'Ge2 Pt1 Se1'
_cell_volume   77.85
_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
  Ge  Ge0  1  0.0  0.87  0.9  1.0
  Ge  Ge1  1  0.05  0.36  0.74  1.0
  Pt  Pt2  1  0.05  0.56  0.77  1.0
  Se  Se3  1  0.0  0.2  0.72  1.0

Ge Ge Pt Se
Ge Ge Pt Se 0 3 o + o 0 2 o o o 1 2 o - o 