data_[Ca2Fe2P4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P-1]
_cell_length_a [6.5809]
_cell_length_b [6.6340]
_cell_length_c [6.7705]
_cell_angle_alpha [86.2818]
_cell_angle_beta [66.4066]
_cell_angle_gamma [81.9566]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CaFeP2O7]
_chemical_formula_sum '[Ca2 Fe2 P4 O14]'
_cell_volume [268.2001]
_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
[
  Ca  Ca0  2  0.2731  0.8581  0.1709  1
  Fe  Fe1  2  0.1031  0.6488  0.7711  1
  P  P2  2  0.2272  0.1462  0.7490  1
  P  P3  2  0.3587  0.3712  0.3294  1
  O  O4  2  0.0499  0.3276  0.8634  1
  O  O5  2  0.1027  0.9811  0.7146  1
  O  O6  2  0.2060  0.2716  0.2557  1
  O  O7  2  0.2583  0.5849  0.4236  1
  O  O8  2  0.3827  0.0689  0.8605  1
  O  O9  2  0.3910  0.2271  0.5210  1
  O  O10  2  0.3997  0.6327  0.8395  1
]