# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10531411
_cell_length_b   9.14837666
_cell_length_c   47.82807344
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo48
_cell_volume   1796.27702968
_cell_formula_units_Z   48
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  0.501697  0.680379  0.316739  1
  Mo  Mo2  1  0.501697  0.280753  0.283762  1
  Mo  Mo3  1  0.001697  0.479429  0.298094  1
  Mo  Mo4  1  0.001697  0.883082  0.336700  1
  Mo  Mo5  1  0.001697  0.780753  0.283762  1
  Mo  Mo6  1  0.001697  0.180379  0.316739  1
  Mo  Mo7  1  0.501697  0.383082  0.336700  1
  Mo  Mo8  1  0.501697  0.979429  0.298094  1
  Mo  Mo9  1  0.501697  0.481819  0.394327  1
  Mo  Mo10  1  0.501697  0.082805  0.355248  1
  Mo  Mo11  1  0.001697  0.281804  0.374905  1
  Mo  Mo12  1  0.001697  0.680977  0.413557  1
  Mo  Mo13  1  0.001697  0.582805  0.355248  1
  Mo  Mo14  1  0.001697  0.981819  0.394327  1
  Mo  Mo15  1  0.501697  0.180977  0.413557  1
  Mo  Mo16  1  0.501697  0.781804  0.374905  1
  Mo  Mo17  1  0.501697  0.279275  0.471673  1
  Mo  Mo18  1  0.501697  0.880390  0.432973  1
  Mo  Mo19  1  0.001697  0.079905  0.452335  1
  Mo  Mo20  1  0.001697  0.478692  0.491040  1
  Mo  Mo21  1  0.001697  0.380390  0.432973  1
  Mo  Mo22  1  0.001697  0.779275  0.471673  1
  Mo  Mo23  1  0.501697  0.978692  0.491040  1
  Mo  Mo24  1  0.501697  0.579905  0.452335  1
  Mo  Mo25  1  0.501697  0.076931  0.549101  1
  Mo  Mo26  1  0.501697  0.678144  0.510397  1
  Mo  Mo27  1  0.001697  0.877562  0.529763  1
  Mo  Mo28  1  0.001697  0.276446  0.568464  1
  Mo  Mo29  1  0.001697  0.178144  0.510397  1
  Mo  Mo30  1  0.001697  0.576931  0.549101  1
  Mo  Mo31  1  0.501697  0.776446  0.568464  1
  Mo  Mo32  1  0.501697  0.377562  0.529763  1
  Mo  Mo33  1  0.501697  0.875032  0.626532  1
  Mo  Mo34  1  0.501697  0.475860  0.587879  1
  Mo  Mo35  1  0.001697  0.675018  0.607109  1
  Mo  Mo36  1  0.001697  0.074032  0.646188  1
  Mo  Mo37  1  0.001697  0.975860  0.587879  1
  Mo  Mo38  1  0.001697  0.375032  0.626532  1
  Mo  Mo39  1  0.501697  0.574032  0.646188  1
  Mo  Mo40  1  0.501697  0.175018  0.607109  1
  Mo  Mo41  1  0.501697  0.677407  0.703342  1
  Mo  Mo42  1  0.501697  0.273755  0.664737  1
  Mo  Mo43  1  0.001697  0.476457  0.684697  1
  Mo  Mo44  1  0.001697  0.876083  0.717675  1
  Mo  Mo45  1  0.001697  0.773755  0.664737  1
  Mo  Mo46  1  0.001697  0.177407  0.703342  1
  Mo  Mo47  1  0.501697  0.376083  0.717675  1
  Mo  Mo48  1  0.501697  0.976457  0.684697  1
