# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12440221
_cell_length_b   11.38589143
_cell_length_c   47.18938204
_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   1678.71999902
_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  0.504121  0.253440  0.329772  1
  Mo  Mo2  1  0.504121  0.031837  0.291519  1
  Mo  Mo3  1  0.504121  0.641195  0.309901  1
  Mo  Mo4  1  1.004121  0.445455  0.318663  1
  Mo  Mo5  1  1.004121  0.226457  0.284141  1
  Mo  Mo6  1  1.004121  0.835631  0.300633  1
  Mo  Mo7  1  0.504121  0.100614  0.384318  1
  Mo  Mo8  1  0.504121  0.871292  0.346488  1
  Mo  Mo9  1  0.504121  0.486334  0.365060  1
  Mo  Mo10  1  1.004121  0.294173  0.375111  1
  Mo  Mo11  1  1.004121  0.063203  0.337652  1
  Mo  Mo12  1  1.004121  0.678274  0.355626  1
  Mo  Mo13  1  0.504121  0.947075  0.439637  1
  Mo  Mo14  1  0.504121  0.716759  0.402226  1
  Mo  Mo15  1  0.504121  0.332496  0.421150  1
  Mo  Mo16  1  1.004121  0.139630  0.430490  1
  Mo  Mo17  1  1.004121  0.908564  0.393118  1
  Mo  Mo18  1  1.004121  0.524902  0.411615  1
  Mo  Mo19  1  0.504121  0.793513  0.495272  1
  Mo  Mo20  1  0.504121  0.563122  0.458071  1
  Mo  Mo21  1  0.504121  0.178234  0.476748  1
  Mo  Mo22  1  1.004121  0.985723  0.486022  1
  Mo  Mo23  1  1.004121  0.755091  0.448790  1
  Mo  Mo24  1  1.004121  0.370825  0.467423  1
  Mo  Mo25  1  0.504121  0.639899  0.551002  1
  Mo  Mo26  1  0.504121  0.409267  0.513770  1
  Mo  Mo27  1  0.504121  0.024165  0.532369  1
  Mo  Mo28  1  1.004121  0.831867  0.541720  1
  Mo  Mo29  1  1.004121  0.601477  0.504519  1
  Mo  Mo30  1  1.004121  0.216756  0.523044  1
  Mo  Mo31  1  0.504121  0.486426  0.606673  1
  Mo  Mo32  1  0.504121  0.255360  0.569301  1
  Mo  Mo33  1  0.504121  0.870088  0.588177  1
  Mo  Mo34  1  1.004121  0.678231  0.597566  1
  Mo  Mo35  1  1.004121  0.447915  0.560154  1
  Mo  Mo36  1  1.004121  0.062494  0.578642  1
  Mo  Mo37  1  0.504121  0.331787  0.662140  1
  Mo  Mo38  1  0.504121  0.100817  0.624681  1
  Mo  Mo39  1  0.504121  0.716716  0.644166  1
  Mo  Mo40  1  1.004121  0.523698  0.653304  1
  Mo  Mo41  1  1.004121  0.294376  0.615474  1
  Mo  Mo42  1  1.004121  0.908656  0.634731  1
  Mo  Mo43  1  0.504121  0.168533  0.715650  1
  Mo  Mo44  1  0.504121  0.949535  0.681128  1
  Mo  Mo45  1  0.504121  0.559358  0.699159  1
  Mo  Mo46  1  1.004121  0.363152  0.708272  1
  Mo  Mo47  1  1.004121  0.141550  0.670019  1
  Mo  Mo48  1  1.004121  0.753794  0.689891  1
