# generated using pymatgen
data_NdBPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45384173
_cell_length_b   5.45384104
_cell_length_c   8.00632526
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999180
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdBPt2
_chemical_formula_sum   'Nd3 B3 Pt6'
_cell_volume   206.23810187
_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
  Nd  Nd0  1  0.00000000  0.50000000  0.66666700  1.0
  Nd  Nd1  1  0.50000000  -0.00000000  0.00000000  1.0
  Nd  Nd2  1  0.50000000  0.50000000  0.33333300  1.0
  B  B3  1  0.50000000  0.50000000  0.83333300  1.0
  B  B4  1  0.00000000  0.50000000  0.16666700  1.0
  B  B5  1  0.50000000  -0.00000000  0.50000000  1.0
  Pt  Pt6  1  0.15377302  0.30754604  0.00000000  1.0
  Pt  Pt7  1  0.84622698  0.15377302  0.33333300  1.0
  Pt  Pt8  1  0.84622698  0.69245396  0.00000000  1.0
  Pt  Pt9  1  0.69245396  0.84622698  0.66666700  1.0
  Pt  Pt10  1  0.30754604  0.15377302  0.66666700  1.0
  Pt  Pt11  1  0.15377302  0.84622698  0.33333300  1.0