data_AlAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   6.16
_cell_angle_alpha   112.13
_cell_angle_beta   112.13
_cell_angle_gamma   49.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAs2Pt
_chemical_formula_sum   'Al1 As2 Pt1'
_cell_volume   75.71
_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  0.02  0.0  0.58  1.0
  As  As1  1  0.16  0.0  0.3  1.0
  As  As2  1  0.48  0.0  0.88  1.0
  Pt  Pt3  1  0.7  0.0  0.66  1.0

data_AlAs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.22
_cell_length_c   6.02
_cell_angle_alpha   71.59
_cell_angle_beta   73.0
_cell_angle_gamma   65.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAs2Pt
_chemical_formula_sum   'Al1 As2 Pt1'
_cell_volume   75.71
_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  0.44  0.58  1.0
  As  As1  1  0.0  0.6  0.88  1.0
  As  As2  1  0.0  0.87  0.3  1.0
  Pt  Pt3  1  0.0  0.03  0.66  1.0

Al As As Pt