data_AlP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   3.58
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlP2Pt
_chemical_formula_sum   'Al1 P2 Pt1'
_cell_volume   67.65
_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
  P  P1  1  0.11  0.79  0.97  1.0
  P  P2  1  0.94  0.79  0.39  1.0
  Pt  Pt3  1  0.52  0.0  0.18  1.0

data_AlP2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.34
_cell_length_c   4.55
_cell_angle_alpha   106.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlP2Pt
_chemical_formula_sum   'Al1 P2 Pt1'
_cell_volume   67.65
_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
  P  P1  1  0.21  0.06  0.61  1.0
  P  P2  1  0.21  0.89  0.03  1.0
  Pt  Pt3  1  0.0  0.48  0.82  1.0

Al P P Pt