data_[Fe4Cu3P6O24]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2462]
_cell_length_b [7.8563]
_cell_length_c [9.3046]
_cell_angle_alpha [105.7003]
_cell_angle_beta [106.9888]
_cell_angle_gamma [101.1767]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe4Cu3(PO4)6]
_chemical_formula_sum '[Fe4 Cu3 P6 O24]'
_cell_volume [401.4908]
_cell_formula_units_Z [1]
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  2  0.0452  0.7172  0.5203  1
  Fe  Fe1  2  0.3861  0.4487  0.1161  1
  Cu  Cu2  2  0.2649  0.8009  0.2721  1
  Cu  Cu3  1  0.0000  0.0000  0.0000  1
  P  P4  2  0.0968  0.6028  0.8356  1
  P  P5  2  0.2299  0.1447  0.7709  1
  P  P6  2  0.4048  0.2293  0.3760  1
  O  O7  2  0.0178  0.1937  0.6696  1
  O  O8  2  0.0731  0.5551  0.6568  1
  O  O9  2  0.1212  0.5273  0.1579  1
  O  O10  2  0.1238  0.8023  0.9220  1
  O  O11  2  0.2083  0.9431  0.7010  1
  O  O12  2  0.2257  0.1919  0.9452  1
  O  O13  2  0.2506  0.2801  0.4710  1
  O  O14  2  0.2918  0.0339  0.2470  1
  O  O15  2  0.3127  0.5441  0.9187  1
  O  O16  2  0.3569  0.7484  0.4974  1
  O  O17  2  0.4448  0.3620  0.2852  1
  O  O18  2  0.4614  0.2640  0.7728  1
]