data_AlV2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.11
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   92.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Pt
_chemical_formula_sum   'Al1 V2 Pt1'
_cell_volume   56.46
_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
  V  V2  1  0.2  0.05  0.89  1.0
  V  V3  1  0.29  0.05  0.23  1.0
  Pt  Pt1  1  0.9  0.0  0.56  1.0

data_AlV2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.11
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   92.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Pt
_chemical_formula_sum   'Al1 V2 Pt1'
_cell_volume   56.46
_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
  V  V1  1  0.2  0.05  0.89  1.0
  V  V2  1  0.29  0.05  0.23  1.0
  Pt  Pt3  1  0.9  0.0  0.56  1.0

Al V V Pt
Al V V Pt 0 1 o o - 0 2 o o o 0 3 - o - 1 3 - o o 2 3 o o o 2 3 - o o 