data_[Mg2Fe6P6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  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 [C2]
_cell_length_a [8.9484]
_cell_length_b [5.3736]
_cell_length_c [11.2449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.3343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [MgFe3(PO4)3]
_chemical_formula_sum '[Mg2 Fe6 P6 O24]'
_cell_volume [537.4184]
_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
[
  Mg  Mg0  2  0.0000  0.0100  0.0000  1.0
  Fe  Fe1  4  0.2267  0.2913  0.7937  1.0
  Fe  Fe2  2  0.0000  0.3866  0.5000  1.0
  P  P3  4  0.2314  0.7477  0.6668  1.0
  P  P4  2  0.0000  0.5061  0.0000  1.0
  O  O5  4  0.0856  0.6941  0.0904  1.0
  O  O6  4  0.0926  0.5731  0.6290  1.0
  O  O7  4  0.1014  0.3189  0.9384  1.0
  O  O8  4  0.1621  0.2346  0.4328  1.0
  O  O9  4  0.1791  0.0112  0.6880  1.0
  O  O10  4  0.1847  0.1358  0.2098  1.0
]