data_AlPt2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   149.52
_cell_angle_beta   122.61
_cell_angle_gamma   66.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPt2Se
_chemical_formula_sum   'Al1 Pt2 Se1'
_cell_volume   66.63
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.59  0.41  1.0
  Pt  Pt2  1  0.42  0.0  0.11  1.0
  Se  Se3  1  0.0  0.0  0.52  1.0

data_AlPt2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.19
_cell_length_c   5.4
_cell_angle_alpha   118.69
_cell_angle_beta   105.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPt2Se
_chemical_formula_sum   'Al1 Pt2 Se1'
_cell_volume   66.63
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.31  0.89  0.31  1.0
  Pt  Pt2  1  0.59  0.18  0.18  1.0
  Se  Se3  1  0.48  0.48  0.48  1.0

Al Pt Pt Se