data_[Mg6Cd1Fe1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.3911]
_cell_length_b [4.3911]
_cell_length_c [8.7058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Mg6CdFeO8]
_chemical_formula_sum '[Mg6 Cd1 Fe1 O8]'
_cell_volume [167.8627]
_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
[
  Mg  Mg0  4  0.0000  0.5000  0.2439  1.0
  Mg  Mg1  1  0.5000  0.5000  0.0000  1.0
  Mg  Mg2  1  0.5000  0.5000  0.5000  1.0
  Cd  Cd3  1  0.0000  0.0000  0.5000  1.0
  Fe  Fe4  1  0.0000  0.0000  0.0000  1.0
  O  O5  2  0.0000  0.0000  0.2357  1.0
  O  O6  2  0.0000  0.5000  0.0000  1.0
  O  O7  2  0.0000  0.5000  0.5000  1.0
  O  O8  2  0.5000  0.5000  0.2506  1.0
]