# generated using pymatgen
data_Cr3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18603830
_cell_length_b   6.65882109
_cell_length_c   4.52526960
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3C
_chemical_formula_sum   'Cr12 C4'
_cell_volume   156.27068803
_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
  Cr  Cr0  1  0.34232100  0.67800200  0.05963800  1
  Cr  Cr1  1  0.15767900  0.17800200  0.44036200  1
  Cr  Cr2  1  0.65767900  0.32199800  0.55963800  1
  Cr  Cr3  1  0.84232100  0.82199800  0.94036200  1
  Cr  Cr4  1  0.65767900  0.32199800  0.94036200  1
  Cr  Cr5  1  0.84232100  0.82199800  0.55963800  1
  Cr  Cr6  1  0.34232100  0.67800200  0.44036200  1
  Cr  Cr7  1  0.15767900  0.17800200  0.05963800  1
  Cr  Cr8  1  0.84152500  0.53090700  0.25000000  1
  Cr  Cr9  1  0.65847500  0.03090700  0.25000000  1
  Cr  Cr10  1  0.15847500  0.46909300  0.75000000  1
  Cr  Cr11  1  0.34152500  0.96909300  0.75000000  1
  C  C12  1  0.06785300  0.87388300  0.25000000  1
  C  C13  1  0.43214700  0.37388300  0.25000000  1
  C  C14  1  0.93214700  0.12611700  0.75000000  1
  C  C15  1  0.56785300  0.62611700  0.75000000  1
