data_VPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   6.31
_cell_angle_alpha   101.2
_cell_angle_beta   101.2
_cell_angle_gamma   37.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPt2Br
_chemical_formula_sum   'V1 Pt2 Br1'
_cell_volume   81.78
_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  0.44  0.0  0.66  1.0
  Pt  Pt1  1  0.23  0.0  0.63  1.0
  Pt  Pt2  1  0.89  0.0  0.39  1.0
  Br  Br0  1  0.16  0.0  0.76  1.0

data_VPt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.64
_cell_length_c   6.31
_cell_angle_alpha   101.2
_cell_angle_beta   90.0
_cell_angle_gamma   108.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPt2Br
_chemical_formula_sum   'V1 Pt2 Br1'
_cell_volume   81.78
_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  0.56  0.34  1.0
  Pt  Pt1  1  0.0  0.11  0.61  1.0
  Pt  Pt2  1  0.0  0.77  0.37  1.0
  Br  Br3  1  0.0  0.84  0.24  1.0

V Pt Pt Br