# generated using pymatgen
data_NdH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67083608
_cell_length_b   6.67083631
_cell_length_c   6.93239533
_cell_angle_alpha   89.99999421
_cell_angle_beta   89.99999266
_cell_angle_gamma   120.00000289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdH3
_chemical_formula_sum   'Nd6 H18'
_cell_volume   267.16188155
_cell_formula_units_Z   6
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  0.66319103  0.99999956  0.25000004  1.0
  Nd  Nd1  1  0.00000046  0.66319010  0.25000002  1.0
  Nd  Nd2  1  0.33680988  0.33680896  0.25000002  1.0
  Nd  Nd3  1  0.66319178  0.66319075  0.75000005  1.0
  Nd  Nd4  1  0.00000056  0.33680849  0.75000006  1.0
  Nd  Nd5  1  0.33680942  -0.00000044  0.75000002  1.0
  H  H6  1  0.67921468  0.65018370  0.09203507  1.0
  H  H7  1  0.34981604  0.02902960  0.09203515  1.0
  H  H8  1  0.97097012  0.32078537  0.09203527  1.0
  H  H9  1  0.33333374  0.66666627  0.18291800  1.0
  H  H10  1  0.00000047  -0.00000038  0.25000007  1.0
  H  H11  1  0.66666694  0.33333280  0.31708197  1.0
  H  H12  1  0.02903063  0.34981568  0.40796486  1.0
  H  H13  1  0.32078603  0.97096938  0.40796489  1.0
  H  H14  1  0.65018466  0.67921397  0.40796486  1.0
  H  H15  1  0.67921650  0.02902877  0.59203518  1.0
  H  H16  1  0.34981330  0.32078365  0.59203519  1.0
  H  H17  1  0.97097139  0.65018650  0.59203515  1.0
  H  H18  1  0.33333403  0.66666636  0.68292014  1.0
  H  H19  1  0.00000048  -0.00000042  0.75000000  1.0
  H  H20  1  0.66666719  0.33333304  0.81708033  1.0
  H  H21  1  0.02902955  0.67921574  0.90796480  1.0
  H  H22  1  0.65018769  0.97097079  0.90796488  1.0
  H  H23  1  0.32078443  0.34981277  0.90796497  1.0