data_[Mg2Fe2P2O10]
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 [P1]
_cell_length_a [5.3708]
_cell_length_b [5.3713]
_cell_length_c [7.0232]
_cell_angle_alpha [105.0291]
_cell_angle_beta [105.0334]
_cell_angle_gamma [99.2564]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgFePO5]
_chemical_formula_sum '[Mg2 Fe2 P2 O10]'
_cell_volume [183.2405]
_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  1  0.3901  0.2408  0.8191  1.0
  Mg  Mg1  1  0.7527  0.8851  0.3221  1.0
  Fe  Fe2  1  0.0137  0.4872  0.0118  1.0
  Fe  Fe3  1  0.9980  0.5066  0.5116  1.0
  P  P4  1  0.3372  0.1298  0.2562  1.0
  P  P5  1  0.6423  0.8295  0.7555  1.0
  O  O6  1  0.0930  0.4037  0.7549  1.0
  O  O7  1  0.1226  0.1588  0.3667  1.0
  O  O8  1  0.3031  0.2853  0.0968  1.0
  O  O9  1  0.3280  0.8353  0.1466  1.0
  O  O10  1  0.3489  0.8145  0.6386  1.0
  O  O11  1  0.6219  0.2266  0.4162  1.0
  O  O12  1  0.6704  0.6151  0.8660  1.0
  O  O13  1  0.7305  0.1147  0.9146  1.0
  O  O14  1  0.8079  0.8036  0.6029  1.0
  O  O15  1  0.9075  0.5822  0.2533  1.0
]