data_ScV2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   144.24
_cell_angle_beta   133.7
_cell_angle_gamma   59.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Pt
_chemical_formula_sum   'Sc1 V2 Pt1'
_cell_volume   63.2
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.09  0.25  1.0
  V  V3  1  0.63  0.0  0.37  1.0
  Pt  Pt0  1  0.0  0.0  0.62  1.0

data_ScV2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.19
_cell_length_c   5.33
_cell_angle_alpha   113.15
_cell_angle_beta   107.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScV2Pt
_chemical_formula_sum   'Sc1 V2 Pt1'
_cell_volume   63.2
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.27  0.63  0.27  1.0
  V  V2  1  0.75  0.85  0.85  1.0
  Pt  Pt3  1  0.38  0.38  0.38  1.0

Sc V V Pt
Sc V V Pt 0 1 o o o 2 3 + o o 