# generated using pymatgen
data_MoCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.82777293
_cell_length_b   6.24661760
_cell_length_c   13.29530699
_cell_angle_alpha   62.15403613
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoCl4
_chemical_formula_sum   'Mo6 Cl24'
_cell_volume   795.12636775
_cell_formula_units_Z   6
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  Mo0  1  0.74641453  0.00000000  0.75000000  1.0
  Mo  Mo1  1  0.40118723  0.00000000  0.75000000  1.0
  Mo  Mo2  1  0.25358547  0.00000000  0.25000000  1.0
  Mo  Mo3  1  0.59881277  0.00000000  0.25000000  1.0
  Mo  Mo4  1  0.92678099  0.50000000  0.75000000  1.0
  Mo  Mo5  1  0.07321901  0.50000000  0.25000000  1.0
  Cl  Cl6  1  0.42844498  0.40385677  0.64226433  1.0
  Cl  Cl7  1  0.26174164  0.04047129  0.86548661  1.0
  Cl  Cl8  1  0.58157019  0.02787101  0.86861531  1.0
  Cl  Cl9  1  0.58157019  0.97212899  0.63138469  1.0
  Cl  Cl10  1  0.90732907  0.94099108  0.63363633  1.0
  Cl  Cl11  1  0.57155502  0.40385677  0.14226433  1.0
  Cl  Cl12  1  0.26174164  0.95952871  0.63451339  1.0
  Cl  Cl13  1  0.75556140  0.55785205  0.86077693  1.0
  Cl  Cl14  1  0.73825836  0.04047129  0.36548661  1.0
  Cl  Cl15  1  0.42844498  0.59614323  0.85773567  1.0
  Cl  Cl16  1  0.41842981  0.02787101  0.36861531  1.0
  Cl  Cl17  1  0.06394832  0.52400971  0.87229060  1.0
  Cl  Cl18  1  0.41842981  0.97212899  0.13138469  1.0
  Cl  Cl19  1  0.06394832  0.47599029  0.62770940  1.0
  Cl  Cl20  1  0.09267093  0.94099108  0.13363633  1.0
  Cl  Cl21  1  0.73825836  0.95952871  0.13451339  1.0
  Cl  Cl22  1  0.75556140  0.44214795  0.63922307  1.0
  Cl  Cl23  1  0.24443860  0.55785205  0.36077693  1.0
  Cl  Cl24  1  0.90732907  0.05900892  0.86636367  1.0
  Cl  Cl25  1  0.57155502  0.59614323  0.35773567  1.0
  Cl  Cl26  1  0.93605168  0.52400971  0.37229060  1.0
  Cl  Cl27  1  0.93605168  0.47599029  0.12770940  1.0
  Cl  Cl28  1  0.24443860  0.44214795  0.13922307  1.0
  Cl  Cl29  1  0.09267093  0.05900892  0.36636367  1.0