# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46467887
_cell_length_b   7.02554897
_cell_length_c   46.06851658
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo40
_cell_volume   1370.86905948
_cell_formula_units_Z   40
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
  Mo  Mo1  1  0.211601  0.550797  0.291736  1
  Mo  Mo2  1  0.428642  0.985018  0.314045  1
  Mo  Mo3  1  0.601419  0.330046  0.281798  1
  Mo  Mo4  1  0.818418  0.764638  0.302680  1
  Mo  Mo5  1  0.652003  0.431506  0.336476  1
  Mo  Mo6  1  0.874510  0.876557  0.359069  1
  Mo  Mo7  1  0.040359  0.208250  0.323566  1
  Mo  Mo8  1  0.262573  0.652716  0.347861  1
  Mo  Mo9  1  0.096063  0.319578  0.381613  1
  Mo  Mo10  1  0.318779  0.764969  0.404614  1
  Mo  Mo11  1  0.485528  0.098546  0.370209  1
  Mo  Mo12  1  0.707566  0.542564  0.393309  1
  Mo  Mo13  1  0.540965  0.209289  0.427320  1
  Mo  Mo14  1  0.763320  0.653937  0.450192  1
  Mo  Mo15  1  0.929958  0.987295  0.415964  1
  Mo  Mo16  1  0.152096  0.431522  0.438750  1
  Mo  Mo17  1  0.985602  0.098451  0.472953  1
  Mo  Mo18  1  0.207869  0.542929  0.495748  1
  Mo  Mo19  1  0.374465  0.876201  0.461567  1
  Mo  Mo20  1  0.596719  0.320657  0.484344  1
  Mo  Mo21  1  0.430193  0.987519  0.518559  1
  Mo  Mo22  1  0.652447  0.431974  0.541336  1
  Mo  Mo23  1  0.819042  0.765247  0.507155  1
  Mo  Mo24  1  0.041309  0.209725  0.529949  1
  Mo  Mo25  1  0.874815  0.876654  0.564152  1
  Mo  Mo26  1  0.096953  0.320881  0.586939  1
  Mo  Mo27  1  0.263591  0.654238  0.552711  1
  Mo  Mo28  1  0.485947  0.098886  0.575583  1
  Mo  Mo29  1  0.319346  0.765612  0.609594  1
  Mo  Mo30  1  0.541383  0.209630  0.632694  1
  Mo  Mo31  1  0.708132  0.543207  0.598289  1
  Mo  Mo32  1  0.930848  0.988597  0.621289  1
  Mo  Mo33  1  0.764338  0.655460  0.655042  1
  Mo  Mo34  1  0.986553  0.099926  0.679336  1
  Mo  Mo35  1  0.152402  0.431618  0.643834  1
  Mo  Mo36  1  0.374908  0.876670  0.666427  1
  Mo  Mo37  1  0.208493  0.543537  0.700223  1
  Mo  Mo38  1  0.425492  0.978130  0.721105  1
  Mo  Mo39  1  0.598269  0.323158  0.688858  1
  Mo  Mo40  1  0.815310  0.757379  0.711166  1
