# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78655086
_cell_length_b   5.78655086
_cell_length_c   47.61164906
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo36
_cell_volume   1380.64938907
_cell_formula_units_Z   36
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  0.005048  0.503365  0.300159  1
  Mo  Mo2  1  0.005048  1.003365  0.300159  1
  Mo  Mo3  1  0.505048  1.003365  0.300159  1
  Mo  Mo4  1  0.505048  0.503365  0.300159  1
  Mo  Mo5  1  0.338381  0.170032  0.348939  1
  Mo  Mo6  1  0.338381  0.670032  0.348939  1
  Mo  Mo7  1  0.838381  0.670032  0.348939  1
  Mo  Mo8  1  0.838381  0.170032  0.348939  1
  Mo  Mo9  1  0.671714  0.836698  0.399158  1
  Mo  Mo10  1  0.671714  0.336698  0.399158  1
  Mo  Mo11  1  0.171714  0.336698  0.399158  1
  Mo  Mo12  1  0.171714  0.836698  0.399158  1
  Mo  Mo13  1  0.005048  0.503365  0.449333  1
  Mo  Mo14  1  0.005048  1.003365  0.449333  1
  Mo  Mo15  1  0.505048  1.003365  0.449333  1
  Mo  Mo16  1  0.505048  0.503365  0.449333  1
  Mo  Mo17  1  0.338381  0.170032  0.499510  1
  Mo  Mo18  1  0.338381  0.670032  0.499510  1
  Mo  Mo19  1  0.838381  0.670032  0.499510  1
  Mo  Mo20  1  0.838381  0.170032  0.499510  1
  Mo  Mo21  1  0.671714  0.836698  0.549687  1
  Mo  Mo22  1  0.671714  0.336698  0.549687  1
  Mo  Mo23  1  0.171714  0.336698  0.549687  1
  Mo  Mo24  1  0.171714  0.836698  0.549687  1
  Mo  Mo25  1  0.005048  0.503365  0.599862  1
  Mo  Mo26  1  0.005048  1.003365  0.599862  1
  Mo  Mo27  1  0.505048  1.003365  0.599862  1
  Mo  Mo28  1  0.505048  0.503365  0.599862  1
  Mo  Mo29  1  0.338381  0.170032  0.650081  1
  Mo  Mo30  1  0.338381  0.670032  0.650081  1
  Mo  Mo31  1  0.838381  0.670032  0.650081  1
  Mo  Mo32  1  0.838381  0.170032  0.650081  1
  Mo  Mo33  1  0.671714  0.836698  0.698860  1
  Mo  Mo34  1  0.671714  0.336698  0.698860  1
  Mo  Mo35  1  0.171714  0.336698  0.698860  1
  Mo  Mo36  1  0.171714  0.836698  0.698860  1
