data_[Zn2Fe2P2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [5.4692]
_cell_length_b [5.4873]
_cell_length_c [7.2087]
_cell_angle_alpha [107.8993]
_cell_angle_beta [107.8763]
_cell_angle_gamma [95.3154]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZnFePO5]
_chemical_formula_sum '[Zn2 Fe2 P2 O10]'
_cell_volume [191.7126]
_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
[
  Zn  Zn0  1  0.3218  0.1794  0.7812  1.0
  Zn  Zn1  1  0.7054  0.8290  0.2919  1.0
  Fe  Fe2  1  0.0033  0.4974  0.0130  1.0
  Fe  Fe3  1  0.0066  0.4937  0.5126  1.0
  P  P4  1  0.3498  0.1355  0.2599  1.0
  P  P5  1  0.6537  0.8493  0.7618  1.0
  O  O6  1  0.0921  0.4094  0.7628  1.0
  O  O7  1  0.1950  0.2034  0.4085  1.0
  O  O8  1  0.2779  0.2702  0.0965  1.0
  O  O9  1  0.3105  0.8311  0.1534  1.0
  O  O10  1  0.3481  0.7935  0.6472  1.0
  O  O11  1  0.6546  0.2041  0.3839  1.0
  O  O12  1  0.7056  0.1535  0.8780  1.0
  O  O13  1  0.7289  0.7040  0.9158  1.0
  O  O14  1  0.7985  0.7845  0.6041  1.0
  O  O15  1  0.9161  0.5808  0.2623  1.0
]