# generated using pymatgen
data_Cr21(MoC3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47795509
_cell_length_b   7.47795772
_cell_length_c   7.47795873
_cell_angle_alpha   59.99923468
_cell_angle_beta   59.99923527
_cell_angle_gamma   59.99921772
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr21(MoC3)2
_chemical_formula_sum   'Cr21 Mo2 C6'
_cell_volume   295.68298552
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.99999410  0.99999681  1.00000418  1.0
  Cr  Cr1  1  0.61613807  0.61613438  0.15159027  1.0
  Cr  Cr2  1  0.61614021  0.15158857  0.61613114  1.0
  Cr  Cr3  1  0.15158814  0.61613871  0.61613257  1.0
  Cr  Cr4  1  0.61614120  0.61613755  0.61613135  1.0
  Cr  Cr5  1  0.38386430  0.38386391  0.84841345  1.0
  Cr  Cr6  1  0.38386620  0.84841258  0.38386243  1.0
  Cr  Cr7  1  0.84841141  0.38386638  0.38386293  1.0
  Cr  Cr8  1  0.38386439  0.38386417  0.38386100  1.0
  Cr  Cr9  1  -0.00000002  0.00000181  0.33871716  1.0
  Cr  Cr10  1  0.66128265  0.99999953  0.33871663  1.0
  Cr  Cr11  1  0.99999885  0.66128254  0.33871653  1.0
  Cr  Cr12  1  0.66128236  0.33871692  1.00000220  1.0
  Cr  Cr13  1  -0.00000199  0.33871697  0.00000374  1.0
  Cr  Cr14  1  -0.00000054  0.33871760  0.66128191  1.0
  Cr  Cr15  1  0.33871702  0.66128218  1.00000234  1.0
  Cr  Cr16  1  0.33871744  1.00000013  0.66128214  1.0
  Cr  Cr17  1  0.33871657  -0.00000131  1.00000278  1.0
  Cr  Cr18  1  0.99999751  0.99999992  0.66128460  1.0
  Cr  Cr19  1  0.99999463  0.66128265  1.00000279  1.0
  Cr  Cr20  1  0.66128217  0.99999569  1.00000122  1.0
  Mo  Mo21  1  0.74999924  0.74999805  0.74999783  1.0
  Mo  Mo22  1  0.24999932  0.25000228  0.25000518  1.0
  C  C23  1  0.72423665  0.72423747  0.27576173  1.0
  C  C24  1  0.27576583  0.72423520  0.27576582  1.0
  C  C25  1  0.72423677  0.27576403  0.27576462  1.0
  C  C26  1  0.27576924  0.27576910  0.72423203  1.0
  C  C27  1  0.72423284  0.27576464  0.72423546  1.0
  C  C28  1  0.27576642  0.72423155  0.72423396  1.0