data_LiVPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.06
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVPt2
_chemical_formula_sum   'Li1 V1 Pt2'
_cell_volume   57.08
_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
  Li  Li0  1  0.0  0.0  0.04  1.0
  V  V3  1  0.36  0.03  0.51  1.0
  Pt  Pt1  1  0.36  0.03  0.94  1.0
  Pt  Pt2  1  0.0  0.0  0.48  1.0

data_LiVPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.06
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVPt2
_chemical_formula_sum   'Li1 V1 Pt2'
_cell_volume   57.08
_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
  Li  Li0  1  0.0  0.0  0.04  1.0
  V  V1  1  0.36  0.03  0.51  1.0
  Pt  Pt2  1  0.0  0.0  0.48  1.0
  Pt  Pt3  1  0.36  0.03  0.94  1.0

Li V Pt Pt
Li V Pt Pt 0 2 o o - 1 3 o o o 