data_BaVPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   2.99
_cell_angle_alpha   90.9
_cell_angle_beta   90.9
_cell_angle_gamma   91.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVPt2
_chemical_formula_sum   'Ba1 V1 Pt2'
_cell_volume   83.05
_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
  Ba  Ba0  1  0.67  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.8  0.89  0.49  1.0
  Pt  Pt2  1  0.8  0.11  0.49  1.0

data_BaVPt2
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   2.99
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   BaVPt2
_chemical_formula_sum   'Ba1 V1 Pt2'
_cell_volume   83.11
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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
  Ba  Ba0  1  0.0  0.0  0.33  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.5  0.11  0.2  1.0

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