data_[Mg1Fe3P3O12]
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 [P2]
_cell_length_a [5.4077]
_cell_length_b [11.4660]
_cell_length_c [5.6315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [MgFe3(PO4)3]
_chemical_formula_sum '[Mg1 Fe3 P3 O12]'
_cell_volume [308.5994]
_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
[
  Mg  Mg0  1  0.0000  0.1606  0.5000  1.0
  Fe  Fe1  1  0.0000  0.8362  0.0000  1.0
  Fe  Fe2  1  0.5000  0.1696  0.0000  1.0
  Fe  Fe3  1  0.5000  0.5003  0.5000  1.0
  P  P4  1  0.0000  0.3176  0.0000  1.0
  P  P5  1  0.5000  0.0061  0.5000  1.0
  P  P6  1  0.5000  0.6751  0.0000  1.0
  O  O7  2  0.1151  0.2312  0.8510  1.0
  O  O8  2  0.2367  0.7577  0.9039  1.0
  O  O9  2  0.2464  0.3815  0.2166  1.0
  O  O10  2  0.2554  0.9372  0.2877  1.0
  O  O11  2  0.3732  0.0878  0.6400  1.0
  O  O12  2  0.4635  0.6051  0.7575  1.0
]