data_[Be2Fe2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.7576]
_cell_length_b [2.8221]
_cell_length_c [4.8850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeFeO2]
_chemical_formula_sum '[Be2 Fe2 O4]'
_cell_volume [79.1421]
_cell_formula_units_Z [2]
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
[
  Be  Be0  2  0.0016  0.0000  0.2124  1
  Fe  Fe1  2  0.2317  0.5000  0.7330  1
  O  O2  2  0.0188  0.0000  0.5246  1
  O  O3  2  0.4905  0.0000  0.0488  1
]