data_[Li4Fe2B2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Pmn2_1]
_cell_length_a [5.8146]
_cell_length_b [5.3583]
_cell_length_c [4.8006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2FeBO4]
_chemical_formula_sum '[Li4 Fe2 B2 O8]'
_cell_volume [149.5713]
_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
[
  Li  Li0  4  0.2474  0.3364  0.9934  1
  Fe  Fe1  2  0.0000  0.1419  0.4961  1
  B  B2  2  0.0000  0.8278  0.0024  1
  O  O3  4  0.2129  0.6938  0.9045  1
  O  O4  2  0.0000  0.0916  0.8933  1
  O  O5  2  0.0000  0.8318  0.3123  1
]