# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11225748
_cell_length_b   14.73070092
_cell_length_c   47.82530419
_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   Mo72
_cell_volume   2897.08643397
_cell_formula_units_Z   72
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  0.500850  0.620940  0.333551  1
  Mo  Mo2  1  0.500850  0.385206  0.291860  1
  Mo  Mo3  1  0.500850  0.008124  0.313036  1
  Mo  Mo4  1  0.000850  0.503951  0.310483  1
  Mo  Mo5  1  0.000850  0.120349  0.333714  1
  Mo  Mo6  1  0.000850  0.737752  0.358115  1
  Mo  Mo7  1  0.000850  0.695881  0.303291  1
  Mo  Mo8  1  0.000850  0.312589  0.322411  1
  Mo  Mo9  1  0.000850  0.928224  0.344922  1
  Mo  Mo10  1  0.500850  0.429823  0.346589  1
  Mo  Mo11  1  0.500850  0.198074  0.301514  1
  Mo  Mo12  1  0.500850  0.812953  0.322034  1
  Mo  Mo13  1  0.500850  0.467792  0.406013  1
  Mo  Mo14  1  0.500850  0.237069  0.358039  1
  Mo  Mo15  1  0.500850  0.852537  0.381266  1
  Mo  Mo16  1  0.000850  0.352518  0.382175  1
  Mo  Mo17  1  0.000850  0.966938  0.405316  1
  Mo  Mo18  1  0.000850  0.582467  0.429713  1
  Mo  Mo19  1  0.000850  0.545502  0.369510  1
  Mo  Mo20  1  0.000850  0.159688  0.393754  1
  Mo  Mo21  1  0.000850  0.774953  0.417674  1
  Mo  Mo22  1  0.500850  0.274898  0.417942  1
  Mo  Mo23  1  0.500850  0.044385  0.369708  1
  Mo  Mo24  1  0.500850  0.659847  0.393677  1
  Mo  Mo25  1  0.500850  0.312341  0.477878  1
  Mo  Mo26  1  0.500850  0.082150  0.429608  1
  Mo  Mo27  1  0.500850  0.697271  0.453653  1
  Mo  Mo28  1  0.000850  0.197269  0.453746  1
  Mo  Mo29  1  0.000850  0.812193  0.477544  1
  Mo  Mo30  1  0.000850  0.427319  0.501897  1
  Mo  Mo31  1  0.000850  0.389982  0.441981  1
  Mo  Mo32  1  0.000850  0.004592  0.465438  1
  Mo  Mo33  1  0.000850  0.619771  0.489707  1
  Mo  Mo34  1  0.500850  0.119659  0.489586  1
  Mo  Mo35  1  0.500850  0.889727  0.441422  1
  Mo  Mo36  1  0.500850  0.504926  0.465860  1
  Mo  Mo37  1  0.500850  0.157130  0.549570  1
  Mo  Mo38  1  0.500850  0.927080  0.501419  1
  Mo  Mo39  1  0.500850  0.542206  0.525772  1
  Mo  Mo40  1  0.000850  0.042058  0.525438  1
  Mo  Mo41  1  0.000850  0.657128  0.549663  1
  Mo  Mo42  1  0.000850  0.272249  0.573708  1
  Mo  Mo43  1  0.000850  0.234741  0.513730  1
  Mo  Mo44  1  0.000850  0.849474  0.537456  1
  Mo  Mo45  1  0.000850  0.464672  0.561895  1
  Mo  Mo46  1  0.500850  0.964417  0.561335  1
  Mo  Mo47  1  0.500850  0.734628  0.513610  1
  Mo  Mo48  1  0.500850  0.349807  0.537878  1
  Mo  Mo49  1  0.500850  1.001881  0.621142  1
  Mo  Mo50  1  0.500850  0.771932  0.573603  1
  Mo  Mo51  1  0.500850  0.387461  0.598000  1
  Mo  Mo52  1  0.000850  0.886607  0.597303  1
  Mo  Mo53  1  0.000850  0.501862  0.622050  1
  Mo  Mo54  1  0.000850  0.117330  0.645277  1
  Mo  Mo55  1  0.000850  0.079501  0.585374  1
  Mo  Mo56  1  0.000850  0.694552  0.609640  1
  Mo  Mo57  1  0.000850  0.310014  0.633608  1
  Mo  Mo58  1  0.500850  0.808897  0.633806  1
  Mo  Mo59  1  0.500850  0.579446  0.585642  1
  Mo  Mo60  1  0.500850  0.194712  0.609562  1
  Mo  Mo61  1  0.500850  0.850449  0.692833  1
  Mo  Mo62  1  0.500850  0.616647  0.645201  1
  Mo  Mo63  1  0.500850  0.234050  0.669602  1
  Mo  Mo64  1  0.000850  0.733459  0.669765  1
  Mo  Mo65  1  0.000850  0.346275  0.690280  1
  Mo  Mo66  1  0.000850  0.969193  0.711456  1
  Mo  Mo67  1  0.000850  0.924576  0.656727  1
  Mo  Mo68  1  0.000850  0.541447  0.681282  1
  Mo  Mo69  1  0.000850  0.156325  0.701802  1
  Mo  Mo70  1  0.500850  0.658518  0.700025  1
  Mo  Mo71  1  0.500850  0.426175  0.658394  1
  Mo  Mo72  1  0.500850  0.041810  0.680905  1
