data_[Fe4Cu8B4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [3.1268]
_cell_length_b [12.1795]
_cell_length_c [9.8537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [FeCu2BO5]
_chemical_formula_sum '[Fe4 Cu8 B4 O20]'
_cell_volume [369.9489]
_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
[
  Fe  Fe0  4  0.0942  0.6211  0.7287  1
  Cu  Cu1  4  0.4201  0.2250  0.5178  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Cu  Cu3  2  0.5000  0.0000  0.0000  1
  B  B4  4  0.0467  0.6286  0.2591  1
  O  O5  4  0.0351  0.5362  0.3400  1
  O  O6  4  0.0883  0.1231  0.3817  1
  O  O7  4  0.1840  0.7282  0.3154  1
  O  O8  4  0.3404  0.0942  0.6357  1
  O  O9  4  0.4696  0.1465  0.9066  1
]