data_[Ba4Fe12P12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [10.6878]
_cell_length_b [13.6456]
_cell_length_c [6.7226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaFe3(PO4)3]
_chemical_formula_sum '[Ba4 Fe12 P12 O48]'
_cell_volume [980.4253]
_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
[
  Ba  Ba0  4  0.0000  0.2500  0.6093  1
  Fe  Fe1  8  0.2500  0.1321  0.2500  1
  Fe  Fe2  4  0.0000  0.0000  0.0000  1
  P  P3  8  0.2500  0.0720  0.7500  1
  P  P4  4  0.0000  0.2500  0.1042  1
  O  O5  16  0.1377  0.0009  0.2061  1
  O  O6  16  0.2161  0.1343  0.5673  1
  O  O7  8  0.0000  0.1564  0.9740  1
  O  O8  8  0.1172  0.2500  0.2422  1
]