# generated using pymatgen
data_MoCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.39834840
_cell_length_b   12.39851132
_cell_length_c   6.10014305
_cell_angle_alpha   90.00386804
_cell_angle_beta   90.00174984
_cell_angle_gamma   120.00223041
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoCl4
_chemical_formula_sum   'Mo6 Cl24'
_cell_volume   812.07149542
_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  0.82726933  0.65452684  0.00000950  1.0
  Mo  Mo1  1  0.17271752  0.82726191  0.00001978  1.0
  Mo  Mo2  1  0.17275957  0.34546519  0.00006374  1.0
  Mo  Mo3  1  0.82725732  0.17271433  0.00003218  1.0
  Mo  Mo4  1  0.34546557  0.17275683  0.00005533  1.0
  Mo  Mo5  1  0.65452336  0.82726803  0.00001397  1.0
  Cl  Cl6  1  0.16683956  0.48046650  0.76034738  1.0
  Cl  Cl7  1  0.00000564  0.67017955  0.77763310  1.0
  Cl  Cl8  1  0.83315088  0.31361730  0.76036358  1.0
  Cl  Cl9  1  0.16935252  -0.00000055  0.79377766  1.0
  Cl  Cl10  1  0.83315468  0.51955641  0.23961582  1.0
  Cl  Cl11  1  0.67017264  0.67017148  0.22236618  1.0
  Cl  Cl12  1  0.00000198  0.83064540  0.20621448  1.0
  Cl  Cl13  1  -0.00000186  0.16935225  0.79377986  1.0
  Cl  Cl14  1  0.48046309  0.16683917  0.76035231  1.0
  Cl  Cl15  1  0.16684725  0.68640098  0.23963088  1.0
  Cl  Cl16  1  0.32982597  -0.00000586  0.22235695  1.0
  Cl  Cl17  1  0.32982106  0.32982130  0.77762449  1.0
  Cl  Cl18  1  0.68640508  0.16684676  0.23962547  1.0
  Cl  Cl19  1  0.31361818  0.83315660  0.76036493  1.0
  Cl  Cl20  1  0.16935467  0.16935417  0.20621426  1.0
  Cl  Cl21  1  0.31358132  0.48042594  0.23960103  1.0
  Cl  Cl22  1  0.67018002  0.00000550  0.77763359  1.0
  Cl  Cl23  1  0.51955605  0.68639521  0.76037943  1.0
  Cl  Cl24  1  0.83065333  0.83065269  0.79377735  1.0
  Cl  Cl25  1  0.48043113  0.31358507  0.23959560  1.0
  Cl  Cl26  1  0.51955952  0.83315553  0.23961422  1.0
  Cl  Cl27  1  0.68639601  0.51955815  0.76036977  1.0
  Cl  Cl28  1  0.83064555  0.00000158  0.20621350  1.0
  Cl  Cl29  1  -0.00000693  0.32982575  0.22235365  1.0