# generated using pymatgen
data_LiBPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28120286
_cell_length_b   9.28120227
_cell_length_c   2.77546394
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBPt3
_chemical_formula_sum   'Li3 B3 Pt9'
_cell_volume   207.04975181
_cell_formula_units_Z   3
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  0.00000000  0.36293351  0.00000000  1
  Li  Li1  1  0.63706649  0.63706649  0.00000000  1
  Li  Li2  1  0.36293351  0.00000000  -0.00000000  1
  B  B3  1  -0.00000000  0.00000000  0.50000000  1
  B  B4  1  0.66666700  0.33333300  0.00000000  1
  B  B5  1  0.33333300  0.66666700  -0.00000000  1
  Pt  Pt6  1  0.68116033  0.16481429  0.50000000  1
  Pt  Pt7  1  0.48365395  0.31883967  0.50000000  1
  Pt  Pt8  1  0.83518571  0.51634605  0.50000000  1
  Pt  Pt9  1  0.16481429  0.68116033  0.50000000  1
  Pt  Pt10  1  0.31883967  0.48365395  0.50000000  1
  Pt  Pt11  1  0.51634605  0.83518571  0.50000000  1
  Pt  Pt12  1  -0.00000000  0.82257331  -0.00000000  1
  Pt  Pt13  1  0.17742669  0.17742669  0.00000000  1
  Pt  Pt14  1  0.82257331  0.00000000  -0.00000000  1
