# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12778587
_cell_length_b   4.47578990
_cell_length_c   46.73914293
_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   Mo18
_cell_volume   654.315862507
_cell_formula_units_Z   18
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  0.503576  0.247676  0.310187  1
  Mo  Mo2  1  1.003576  0.747676  0.310187  1
  Mo  Mo3  1  0.503576  0.747676  0.357328  1
  Mo  Mo4  1  1.003576  0.247676  0.357328  1
  Mo  Mo5  1  0.503576  0.247676  0.405034  1
  Mo  Mo6  1  1.003576  0.747676  0.405034  1
  Mo  Mo7  1  0.503576  0.747676  0.452721  1
  Mo  Mo8  1  1.003576  0.247676  0.452721  1
  Mo  Mo9  1  0.503576  0.247676  0.500409  1
  Mo  Mo10  1  1.003576  0.747676  0.500409  1
  Mo  Mo11  1  0.503576  0.747676  0.548097  1
  Mo  Mo12  1  1.003576  0.247676  0.548097  1
  Mo  Mo13  1  0.503576  0.247676  0.595784  1
  Mo  Mo14  1  1.003576  0.747676  0.595784  1
  Mo  Mo15  1  0.503576  0.747676  0.643490  1
  Mo  Mo16  1  1.003576  0.247676  0.643490  1
  Mo  Mo17  1  0.503576  0.247676  0.690631  1
  Mo  Mo18  1  1.003576  0.747676  0.690631  1
