data_AlPtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   7.3
_cell_angle_alpha   107.19
_cell_angle_beta   107.19
_cell_angle_gamma   57.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPtSe2
_chemical_formula_sum   'Al1 Pt1 Se2'
_cell_volume   89.22
_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
  Al  Al0  1  0.1  0.0  0.35  1.0
  Pt  Pt1  1  0.65  0.0  0.66  1.0
  Se  Se2  1  0.01  0.0  0.72  1.0
  Se  Se3  1  0.84  0.0  0.57  1.0

data_AlPtSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.92
_cell_length_c   7.19
_cell_angle_alpha   75.81
_cell_angle_beta   74.75
_cell_angle_gamma   61.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPtSe2
_chemical_formula_sum   'Al1 Pt1 Se2'
_cell_volume   89.22
_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
  Al  Al0  1  0.0  0.75  0.35  1.0
  Pt  Pt1  1  0.0  1.0  0.66  1.0
  Se  Se2  1  0.0  0.27  0.57  1.0
  Se  Se3  1  0.0  0.29  0.72  1.0

Al Pt Se Se