data_V2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   138.03
_cell_angle_beta   132.19
_cell_angle_gamma   65.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2AsPt
_chemical_formula_sum   'V2 As1 Pt1'
_cell_volume   56.77
_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  V2  1  0.0  0.98  0.09  1.0
  V  V3  1  0.75  0.0  0.01  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.11  1.0

data_V2AsPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.96
_cell_length_c   4.88
_cell_angle_alpha   113.9
_cell_angle_beta   110.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2AsPt
_chemical_formula_sum   'V2 As1 Pt1'
_cell_volume   56.77
_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  0.01  0.27  1.0
  V  V1  1  0.02  0.11  0.11  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.11  0.11  1.0

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