# generated using pymatgen
data_Ca3NdB24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16137334
_cell_length_b   7.16137353
_cell_length_c   5.84301785
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.50057749
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3NdB24
_chemical_formula_sum   'Ca3 Nd1 B24'
_cell_volume   282.47164363
_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  0.74867486  0.25132514  0.50000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca2  1  0.25132514  0.74867486  0.50000000  1.0
  Nd  Nd3  1  0.00000000  0.00000000  0.00000000  1.0
  B  B4  1  0.17512915  0.32467869  0.64934295  1.0
  B  B5  1  0.92539050  0.57460222  0.14968884  1.0
  B  B6  1  0.67532131  0.82487085  0.64934295  1.0
  B  B7  1  0.42539778  0.07460950  0.14968884  1.0
  B  B8  1  0.17512915  0.32467869  0.35065705  1.0
  B  B9  1  0.92539050  0.57460222  0.85031116  1.0
  B  B10  1  0.67532131  0.82487085  0.35065705  1.0
  B  B11  1  0.42539778  0.07460950  0.85031116  1.0
  B  B12  1  0.39938910  0.39938910  0.50000000  1.0
  B  B13  1  0.14971550  0.64916103  0.00000000  1.0
  B  B14  1  0.89947180  0.89947180  0.50000000  1.0
  B  B15  1  0.64916103  0.14971550  0.00000000  1.0
  B  B16  1  0.32467869  0.17512915  0.64934295  1.0
  B  B17  1  0.07460950  0.42539778  0.14968884  1.0
  B  B18  1  0.82487085  0.67532131  0.64934295  1.0
  B  B19  1  0.57460222  0.92539050  0.14968884  1.0
  B  B20  1  0.10052820  0.10052820  0.50000000  1.0
  B  B21  1  0.85028450  0.35083897  0.00000000  1.0
  B  B22  1  0.60061090  0.60061090  0.50000000  1.0
  B  B23  1  0.35083897  0.85028450  0.00000000  1.0
  B  B24  1  0.32467869  0.17512915  0.35065705  1.0
  B  B25  1  0.07460950  0.42539778  0.85031116  1.0
  B  B26  1  0.82487085  0.67532131  0.35065705  1.0
  B  B27  1  0.57460222  0.92539050  0.85031116  1.0