# generated using pymatgen
data_KFeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97041221
_cell_length_b   6.97041221
_cell_length_c   6.97041221
_cell_angle_alpha   146.98861549
_cell_angle_beta   146.98861549
_cell_angle_gamma   47.38063912
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFeAs2
_chemical_formula_sum   'K1 Fe1 As2'
_cell_volume   100.13316159
_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
  K  K0  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.25000000  0.75000000  0.50000000  1.0
  As  As2  1  0.66926200  0.66926200  0.00000000  1.0
  As  As3  1  0.33073800  0.33073800  0.00000000  1.0