data_[Mg4Sc4Fe4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.0529]
_cell_length_b [6.1694]
_cell_length_c [8.6073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MgScFeO4]
_chemical_formula_sum '[Mg4 Sc4 Fe4 O16]'
_cell_volume [321.4234]
_cell_formula_units_Z [4]
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  0.2500  0.2500  0.7500  1.0
  Sc  Sc1  4  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.0000  0.2500  0.3705  1.0
  O  O3  8  0.0000  0.0093  0.7550  1.0
  O  O4  8  0.2399  0.2500  0.9959  1.0
]