data_[Mg4Fe8B4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [9.4555]
_cell_length_b [12.4786]
_cell_length_c [3.0841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [MgFe2BO5]
_chemical_formula_sum '[Mg4 Fe8 B4 O20]'
_cell_volume [363.8979]
_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  0.0002  0.7226  0.0000  1
  Fe  Fe1  4  0.2433  0.1131  0.5000  1
  Fe  Fe2  2  0.0000  0.0000  0.0000  1
  Fe  Fe3  2  0.0000  0.5000  0.5000  1
  B  B4  4  0.2316  0.8588  0.5000  1
  O  O5  4  0.1108  0.1421  0.0000  1
  O  O6  4  0.1160  0.5824  0.0000  1
  O  O7  4  0.1219  0.3537  0.5000  1
  O  O8  4  0.1517  0.7645  0.5000  1
  O  O9  4  0.1606  0.9566  0.5000  1
]