# generated using pymatgen
data_Ca2NdB18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13156848
_cell_length_b   4.13156848
_cell_length_c   12.41065960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NdB18
_chemical_formula_sum   'Ca2 Nd1 B18'
_cell_volume   211.84819856
_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  0.00000000  0.33510568  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.66489432  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.00000000  1.0
  B  B3  1  0.20080345  0.50000000  0.16672789  1.0
  B  B4  1  0.20152381  0.50000000  0.50000000  1.0
  B  B5  1  0.20080345  0.50000000  0.83327211  1.0
  B  B6  1  0.50000000  0.50000000  0.26633729  1.0
  B  B7  1  0.50000000  0.50000000  0.59947422  1.0
  B  B8  1  0.50000000  0.50000000  0.93327927  1.0
  B  B9  1  0.50000000  0.20080345  0.16672789  1.0
  B  B10  1  0.50000000  0.20152381  0.50000000  1.0
  B  B11  1  0.50000000  0.20080345  0.83327211  1.0
  B  B12  1  0.50000000  0.50000000  0.06672073  1.0
  B  B13  1  0.50000000  0.50000000  0.40052578  1.0
  B  B14  1  0.50000000  0.50000000  0.73366271  1.0
  B  B15  1  0.50000000  0.79919655  0.16672789  1.0
  B  B16  1  0.50000000  0.79847619  0.50000000  1.0
  B  B17  1  0.50000000  0.79919655  0.83327211  1.0
  B  B18  1  0.79919655  0.50000000  0.16672789  1.0
  B  B19  1  0.79847619  0.50000000  0.50000000  1.0
  B  B20  1  0.79919655  0.50000000  0.83327211  1.0