# generated using pymatgen
data_CrFeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46530678
_cell_length_b   5.47265231
_cell_length_c   6.09118448
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeAs2
_chemical_formula_sum   'Cr2 Fe2 As4'
_cell_volume   115.51577563
_cell_formula_units_Z   2
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  0.50000000  0.74430200  0.80186900  1
  Cr  Cr1  1  0.00000000  0.25569800  0.30186900  1
  Fe  Fe2  1  0.50000000  0.24728200  0.69537600  1
  Fe  Fe3  1  0.00000000  0.75271800  0.19537600  1
  As  As4  1  0.50000000  0.04783300  0.08147500  1
  As  As5  1  0.50000000  0.55720900  0.42128100  1
  As  As6  1  0.00000000  0.44279100  0.92128100  1
  As  As7  1  0.00000000  0.95216700  0.58147500  1
