data_VCuPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   130.41
_cell_angle_beta   130.41
_cell_angle_gamma   72.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCuPt2
_chemical_formula_sum   'V1 Cu1 Pt2'
_cell_volume   56.26
_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
  Cu  Cu0  1  0.0  0.0  0.73  1.0
  Pt  Pt1  1  0.0  0.94  0.86  1.0
  Pt  Pt2  1  0.94  0.0  0.86  1.0

data_VCuPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   126.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCuPt2
_chemical_formula_sum   'V2 Cu2 Pt4'
_cell_volume   112.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.73  1.0
  Pt  Pt2  4  0.03  0.03  0.92  1.0

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