# generated using pymatgen
data_Cr12As5C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21866600
_cell_length_b   6.45439695
_cell_length_c   11.18142330
_cell_angle_alpha   90.00000104
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr12As5C
_chemical_formula_sum   'Cr12 As5 C1'
_cell_volume   232.28901517
_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  0.00000000  0.72756100  0.50000000  1.0
  Cr  Cr1  1  0.00000000  0.26465500  0.00000000  1.0
  Cr  Cr2  1  0.00000000  0.38636000  0.38945000  1.0
  Cr  Cr3  1  0.00000000  0.86922600  0.86344900  1.0
  Cr  Cr4  1  0.00000000  0.86922600  0.13655100  1.0
  Cr  Cr5  1  0.00000000  0.38636000  0.61055000  1.0
  Cr  Cr6  1  0.50000000  0.12979300  0.50000000  1.0
  Cr  Cr7  1  0.50000000  0.59950400  0.00000000  1.0
  Cr  Cr8  1  0.50000000  0.20412200  0.20570400  1.0
  Cr  Cr9  1  0.50000000  0.67882000  0.67840600  1.0
  Cr  Cr10  1  0.50000000  0.67882000  0.32159400  1.0
  Cr  Cr11  1  0.50000000  0.20412200  0.79429600  1.0
  As  As12  1  0.00000000  0.99847500  0.33995600  1.0
  As  As13  1  0.00000000  0.50184100  0.82676500  1.0
  As  As14  1  0.00000000  0.50184100  0.17323500  1.0
  As  As15  1  0.00000000  0.99847500  0.66004400  1.0
  As  As16  1  0.50000000  0.99733700  0.00000000  1.0
  C  C17  1  0.50000000  0.50326200  0.50000000  1.0