# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45609431
_cell_length_b   4.45609431
_cell_length_c   45.28942719
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo
_chemical_formula_sum   Mo22
_cell_volume   778.818406718
_cell_formula_units_Z   22
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  0.916605  0.916543  0.312416  1
  Mo  Mo2  1  0.583271  0.583209  0.293831  1
  Mo  Mo3  1  0.583271  0.583209  0.351764  1
  Mo  Mo4  1  0.249938  0.249876  0.330446  1
  Mo  Mo5  1  0.249938  0.249876  0.391443  1
  Mo  Mo6  1  0.916605  0.916543  0.371500  1
  Mo  Mo7  1  0.916605  0.916543  0.431693  1
  Mo  Mo8  1  0.583271  0.583209  0.411728  1
  Mo  Mo9  1  0.583271  0.583209  0.471878  1
  Mo  Mo10  1  0.249938  0.249876  0.451783  1
  Mo  Mo11  1  0.249938  0.249876  0.512022  1
  Mo  Mo12  1  0.916605  0.916543  0.491933  1
  Mo  Mo13  1  0.916605  0.916543  0.552172  1
  Mo  Mo14  1  0.583271  0.583209  0.532077  1
  Mo  Mo15  1  0.583271  0.583209  0.592227  1
  Mo  Mo16  1  0.249938  0.249876  0.572262  1
  Mo  Mo17  1  0.249938  0.249876  0.632455  1
  Mo  Mo18  1  0.916605  0.916543  0.612512  1
  Mo  Mo19  1  0.916605  0.916543  0.673509  1
  Mo  Mo20  1  0.583271  0.583209  0.652191  1
  Mo  Mo21  1  0.583271  0.583209  0.710124  1
  Mo  Mo22  1  0.249938  0.249876  0.691539  1
