data_[Ca2Fe1P2H4O10]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5635]
_cell_length_b [5.7817]
_cell_length_c [6.6340]
_cell_angle_alpha [89.9136]
_cell_angle_beta [76.8677]
_cell_angle_gamma [71.4054]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2FeP2(H2O5)2]
_chemical_formula_sum '[Ca2 Fe1 P2 H4 O10]'
_cell_volume [196.3807]
_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
[
  Ca  Ca0  2  0.1680  0.5981  0.2324  1.0
  Fe  Fe1  1  0.5000  0.0000  0.0000  1.0
  P  P2  2  0.1483  0.7579  0.7671  1.0
  H  H3  2  0.3097  0.9332  0.4294  1.0
  H  H4  2  0.4164  0.2791  0.6660  1.0
  O  O5  2  0.1058  0.2415  0.0690  1.0
  O  O6  2  0.1190  0.0003  0.6657  1.0
  O  O7  2  0.2009  0.5408  0.6034  1.0
  O  O8  2  0.3750  0.7019  0.8840  1.0
  O  O9  2  0.4320  0.8452  0.2943  1.0
]