data_VRe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRe2Pt
_chemical_formula_sum   'V1 Re2 Pt1'
_cell_volume   59.41
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.61  0.0  0.57  1.0
  Re  Re2  1  0.61  0.0  0.07  1.0
  Pt  Pt0  1  0.0  0.0  0.32  1.0

data_VRe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRe2Pt
_chemical_formula_sum   'V1 Re2 Pt1'
_cell_volume   59.41
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.61  0.0  0.07  1.0
  Re  Re2  1  0.61  0.0  0.57  1.0
  Pt  Pt3  1  0.0  0.0  0.32  1.0

V Re Re Pt
V Re Re Pt 0 2 - o o 0 3 o o o 1 3 o o o 1 3 + o o 1 1 o + o 1 1 + o o 2 3 + o o 2 3 o o o 3 3 o + o 3 3 + o o 