data_[Y1Mg30Fe1O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  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 [8.5799]
_cell_length_b [8.5799]
_cell_length_c [8.6231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [YMg30FeO32]
_chemical_formula_sum '[Y1 Mg30 Fe1 O32]'
_cell_volume [634.7866]
_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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.0000  0.2530  0.2592  1
  Mg  Mg2  8  0.2500  0.5000  0.2515  1
  Mg  Mg3  4  0.2495  0.2495  0.5000  1
  Mg  Mg4  4  0.2557  0.2557  0.0000  1
  Mg  Mg5  2  0.0000  0.5000  0.0000  1
  Mg  Mg6  2  0.0000  0.5000  0.5000  1
  Mg  Mg7  1  0.5000  0.5000  0.0000  1
  Mg  Mg8  1  0.5000  0.5000  0.5000  1
  Fe  Fe9  1  0.0000  0.0000  0.5000  1
  O  O10  8  0.2496  0.2496  0.2495  1
  O  O11  4  0.0000  0.2606  0.0000  1
  O  O12  4  0.0000  0.2640  0.5000  1
  O  O13  4  0.0000  0.5000  0.2493  1
  O  O14  4  0.2520  0.5000  0.0000  1
  O  O15  4  0.2520  0.5000  0.5000  1
  O  O16  2  0.0000  0.0000  0.2499  1
  O  O17  2  0.5000  0.5000  0.2494  1
]