data_LiBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   147.47
_cell_angle_beta   126.02
_cell_angle_gamma   64.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBPt2
_chemical_formula_sum   'Li1 B1 Pt2'
_cell_volume   54.53
_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  0.0  1.0
  B  B0  1  0.0  0.0  0.25  1.0
  Pt  Pt2  1  0.41  0.0  0.71  1.0
  Pt  Pt3  1  0.0  0.28  0.54  1.0

data_LiBPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.56
_cell_length_c   5.02
_cell_angle_alpha   116.99
_cell_angle_beta   106.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBPt2
_chemical_formula_sum   'Li1 B1 Pt2'
_cell_volume   54.53
_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  0.0  1.0
  B  B1  1  0.75  0.75  0.75  1.0
  Pt  Pt2  1  0.46  0.74  0.74  1.0
  Pt  Pt3  1  0.7  0.29  0.7  1.0

Li B Pt Pt