# generated using pymatgen
data_CsMg6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54739497
_cell_length_b   9.54739497
_cell_length_c   4.91987200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   142.90391004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsMg6Fe
_chemical_formula_sum   'Cs1 Mg6 Fe1'
_cell_volume   270.49016306
_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
  Cs  Cs0  1  0.28529800  0.71470200  0.50000000  1.0
  Mg  Mg1  1  0.32725900  0.19576600  0.50000000  1.0
  Mg  Mg2  1  0.80423400  0.67274100  0.50000000  1.0
  Mg  Mg3  1  0.19663500  0.29217500  0.00000000  1.0
  Mg  Mg4  1  0.70782500  0.80336500  0.00000000  1.0
  Mg  Mg5  1  0.63040500  0.36959500  0.00000000  1.0
  Mg  Mg6  1  0.09843600  0.90156400  0.00000000  1.0
  Fe  Fe7  1  0.94991200  0.05008800  0.50000000  1.0