data_LiBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   31.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBPt2
_chemical_formula_sum   'Li1 B1 Pt2'
_cell_volume   50.28
_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  Li1  1  0.0  0.0  0.23  1.0
  B  B0  1  0.77  0.0  0.28  1.0
  Pt  Pt2  1  0.77  0.0  0.33  1.0
  Pt  Pt3  1  0.0  0.0  0.13  1.0

data_LiBPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.53
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   105.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBPt2
_chemical_formula_sum   'Li1 B1 Pt2'
_cell_volume   50.28
_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  0.77  0.0  0.77  1.0
  B  B1  1  0.72  0.77  0.72  1.0
  Pt  Pt2  1  0.67  0.77  0.67  1.0
  Pt  Pt3  1  0.87  0.0  0.87  1.0

Li B Pt Pt
Li B Pt Pt 0 3 o o o 1 2 o o o 