# generated using pymatgen
data_CsMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03523600
_cell_length_b   6.96073300
_cell_length_c   12.43328500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsMg6Fe
_chemical_formula_sum   'Cs2 Mg12 Fe2'
_cell_volume   435.77337776
_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
  Cs  Cs0  1  0.00000000  0.00000000  0.17262900  1.0
  Cs  Cs1  1  0.00000000  0.50000000  0.67262900  1.0
  Mg  Mg2  1  0.50000000  0.71051700  0.05724900  1.0
  Mg  Mg3  1  0.50000000  0.28948300  0.05724900  1.0
  Mg  Mg4  1  0.50000000  0.50000000  0.33532100  1.0
  Mg  Mg5  1  0.00000000  0.22097800  0.41477500  1.0
  Mg  Mg6  1  0.00000000  0.77902200  0.41477500  1.0
  Mg  Mg7  1  0.00000000  0.50000000  0.17008800  1.0
  Mg  Mg8  1  0.50000000  0.21051700  0.55724900  1.0
  Mg  Mg9  1  0.50000000  0.78948300  0.55724900  1.0
  Mg  Mg10  1  0.50000000  0.00000000  0.83532100  1.0
  Mg  Mg11  1  0.00000000  0.72097800  0.91477500  1.0
  Mg  Mg12  1  0.00000000  0.27902200  0.91477500  1.0
  Mg  Mg13  1  0.00000000  0.00000000  0.67008800  1.0
  Fe  Fe14  1  0.50000000  0.00000000  0.37791500  1.0
  Fe  Fe15  1  0.50000000  0.50000000  0.87791500  1.0