# generated using pymatgen
data_KHfMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67579566
_cell_length_b   6.67579566
_cell_length_c   4.63668537
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.01205888
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfMg6
_chemical_formula_sum   'K1 Hf1 Mg6'
_cell_volume   206.63966411
_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  0.12514778  0.12514778  0.50000000  1.0
  Hf  Hf1  1  0.62494877  0.62494877  0.50000000  1.0
  Mg  Mg2  1  0.62515783  0.12486175  0.50000000  1.0
  Mg  Mg3  1  0.12486175  0.62515783  0.50000000  1.0
  Mg  Mg4  1  0.85046959  0.39939743  0.00000000  1.0
  Mg  Mg5  1  0.39939743  0.85046959  -0.00000000  1.0
  Mg  Mg6  1  0.39938642  0.39938642  -0.00000000  1.0
  Mg  Mg7  1  0.85063143  0.85063143  -0.00000000  1.0