# generated using pymatgen
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12584160
_cell_length_b   5.76444210
_cell_length_c   46.41671924
_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   Mo28
_cell_volume   1103.93695824
_cell_formula_units_Z   28
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  0.499201  0.630296  0.301308  1
  Mo  Mo2  1  -0.000799  0.880296  0.328733  1
  Mo  Mo3  1  -0.000799  0.380296  0.328733  1
  Mo  Mo4  1  0.499201  0.130296  0.301308  1
  Mo  Mo5  1  0.499201  0.130296  0.360611  1
  Mo  Mo6  1  -0.000799  0.380296  0.391899  1
  Mo  Mo7  1  -0.000799  0.880296  0.391899  1
  Mo  Mo8  1  0.499201  0.630296  0.360611  1
  Mo  Mo9  1  0.499201  0.630296  0.423419  1
  Mo  Mo10  1  -0.000799  0.880296  0.454837  1
  Mo  Mo11  1  -0.000799  0.380296  0.454837  1
  Mo  Mo12  1  0.499201  0.130296  0.423419  1
  Mo  Mo13  1  0.499201  0.130296  0.486297  1
  Mo  Mo14  1  -0.000799  0.380296  0.517737  1
  Mo  Mo15  1  -0.000799  0.880296  0.517737  1
  Mo  Mo16  1  0.499201  0.630296  0.486297  1
  Mo  Mo17  1  0.499201  0.630296  0.549197  1
  Mo  Mo18  1  -0.000799  0.880296  0.580615  1
  Mo  Mo19  1  -0.000799  0.380296  0.580615  1
  Mo  Mo20  1  0.499201  0.130296  0.549197  1
  Mo  Mo21  1  0.499201  0.130296  0.612135  1
  Mo  Mo22  1  -0.000799  0.380296  0.643424  1
  Mo  Mo23  1  -0.000799  0.880296  0.643424  1
  Mo  Mo24  1  0.499201  0.630296  0.612135  1
  Mo  Mo25  1  0.499201  0.630296  0.675301  1
  Mo  Mo26  1  -0.000799  0.880296  0.702726  1
  Mo  Mo27  1  -0.000799  0.380296  0.702726  1
  Mo  Mo28  1  0.499201  0.130296  0.675301  1
