data_BaV2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Pt
_chemical_formula_sum   'Ba1 V2 Pt1'
_cell_volume   75.15
_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  0.0  0.0  0.0  1.0
  V  V2  1  0.49  0.83  0.45  1.0
  V  V3  1  0.49  0.17  0.45  1.0
  Pt  Pt1  1  0.98  0.0  0.0  1.0

data_BaV2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   110.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Pt
_chemical_formula_sum   'Ba1 V2 Pt1'
_cell_volume   75.15
_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  0.0  0.0  0.0  1.0
  V  V1  1  0.45  0.49  0.17  1.0
  V  V2  1  0.45  0.49  0.83  1.0
  Pt  Pt3  1  -0.0  0.98  0.0  1.0

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