data_LiBPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   145.61
_cell_angle_beta   145.61
_cell_angle_gamma   49.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBPt
_chemical_formula_sum   'Li1 B1 Pt1'
_cell_volume   42.71
_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  0.01  1.0
  B  B0  1  0.0  0.0  0.67  1.0
  Pt  Pt2  1  0.0  0.0  0.62  1.0

data_LiBPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   114.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiBPt
_chemical_formula_sum   'Li2 B2 Pt2'
_cell_volume   85.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.99  1.0
  B  B1  2  0.0  0.0  0.33  1.0
  Pt  Pt2  2  0.0  0.0  0.38  1.0

Li B Pt
Li B Pt 0 2 o o - 0 1 o o - 1 2 o o o 