data_VAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAs2Pt
_chemical_formula_sum   'V1 As2 Pt1'
_cell_volume   72.14
_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  0.84  1.0
  As  As0  1  0.39  0.39  0.72  1.0
  As  As1  1  0.0  0.0  0.88  1.0
  Pt  Pt2  1  0.39  0.39  0.04  1.0

data_VAs2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VAs2Pt
_chemical_formula_sum   'V2 As4 Pt2'
_cell_volume   144.28
_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  0.84  1.0
  As  As1  2  0.0  0.0  0.88  1.0
  As  As2  2  0.39  0.0  0.72  1.0
  Pt  Pt3  2  0.39  0.0  0.04  1.0

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