# generated using pymatgen
data_CaFe3CoAs12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19431082
_cell_length_b   7.16502967
_cell_length_c   7.16502930
_cell_angle_alpha   109.38829374
_cell_angle_beta   109.55402882
_cell_angle_gamma   109.55402246
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFe3CoAs12
_chemical_formula_sum   'Ca1 Fe3 Co1 As12'
_cell_volume   284.02620232
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe3  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co4  1  0.50000000  0.00000000  0.00000000  1.0
  As  As5  1  0.15211513  0.80927855  0.65544342  1.0
  As  As6  1  0.84788487  0.19072145  0.34455658  1.0
  As  As7  1  0.65716342  0.15383314  0.80927855  1.0
  As  As8  1  0.50332929  0.65544342  0.84616686  1.0
  As  As9  1  0.65710998  0.84630598  0.50285935  1.0
  As  As10  1  0.49667071  0.34455658  0.15383314  1.0
  As  As11  1  0.34283658  0.84616686  0.19072145  1.0
  As  As12  1  0.18919601  0.34344763  0.84630598  1.0
  As  As13  1  0.81080399  0.65655237  0.15369402  1.0
  As  As14  1  0.34289002  0.15369402  0.49714065  1.0
  As  As15  1  0.84574838  0.50285935  0.65655237  1.0
  As  As16  1  0.15425162  0.49714065  0.34344763  1.0