# generated using pymatgen
data_Ca2Nd(BPt2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48968911
_cell_length_b   5.48968952
_cell_length_c   7.63854577
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.38925909
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Nd(BPt2)3
_chemical_formula_sum   'Ca2 Nd1 B3 Pt6'
_cell_volume   198.57289173
_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
  Ca  Ca0  1  0.00000000  0.50000000  0.67166074  1.0
  Ca  Ca1  1  0.50000000  0.00000000  0.99500626  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  0.16099683  1.0
  B  B5  1  0.50000000  0.00000000  0.50567017  1.0
  Pt  Pt6  1  0.14771239  0.29174897  0.00008148  1.0
  Pt  Pt7  1  0.84873205  0.15126795  0.33333300  1.0
  Pt  Pt8  1  0.85228761  0.70825103  0.00008148  1.0
  Pt  Pt9  1  0.70825103  0.85228761  0.66658552  1.0
  Pt  Pt10  1  0.29174897  0.14771239  0.66658552  1.0
  Pt  Pt11  1  0.15126795  0.84873205  0.33333300  1.0