# generated using pymatgen
data_Nb3CrSi2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.12006322
_cell_length_b   8.12006241
_cell_length_c   8.12006322
_cell_angle_alpha   119.99999524
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3CrSi2C
_chemical_formula_sum   'Nb12 Cr4 Si8 C4'
_cell_volume   378.58486990
_cell_formula_units_Z   4
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
  Nb  Nb0  1  0.55096571  0.50000100  0.05096471  1.0
  Nb  Nb1  1  0.55096571  0.10193042  0.05096471  1.0
  Nb  Nb2  1  0.94903529  0.50000100  0.05096571  1.0
  Nb  Nb3  1  0.19903429  1.00000000  0.19903429  1.0
  Nb  Nb4  1  0.19903429  0.39806858  0.19903429  1.0
  Nb  Nb5  1  0.80096471  0.00000000  0.19903429  1.0
  Nb  Nb6  1  0.94903529  0.50000100  0.44903529  1.0
  Nb  Nb7  1  0.94903529  0.89806858  0.44903529  1.0
  Nb  Nb8  1  0.55096571  0.50000100  0.44903529  1.0
  Nb  Nb9  1  0.19903429  0.00000000  0.80096471  1.0
  Nb  Nb10  1  0.80096471  0.00000000  0.80096471  1.0
  Nb  Nb11  1  0.80096471  0.60193142  0.80096471  1.0
  Cr  Cr12  1  0.37500000  0.75000000  0.12500100  1.0
  Cr  Cr13  1  0.37500000  0.24999900  0.62499900  1.0
  Cr  Cr14  1  0.37500000  0.75000000  0.62499900  1.0
  Cr  Cr15  1  0.87500000  0.24999900  0.62500000  1.0
  Si  Si16  1  0.58348508  0.16696717  0.41651692  1.0
  Si  Si17  1  0.24954975  0.83303383  0.41651692  1.0
  Si  Si18  1  0.58348508  0.83303383  0.41651692  1.0
  Si  Si19  1  0.16651592  0.33303383  0.49954975  1.0
  Si  Si20  1  0.58348408  0.16696717  0.75045125  1.0
  Si  Si21  1  0.16651592  0.33303383  0.83348308  1.0
  Si  Si22  1  0.16651592  0.66696617  0.83348308  1.0
  Si  Si23  1  0.50045025  0.66696617  0.83348308  1.0
  C  C24  1  0.37499900  0.24999900  0.12500000  1.0
  C  C25  1  0.87500000  0.24999900  0.12500000  1.0
  C  C26  1  0.87500000  0.75000000  0.12500000  1.0
  C  C27  1  0.87500000  0.75000000  0.62500000  1.0