# generated using pymatgen
data_CaFe2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96592660
_cell_length_b   6.96592626
_cell_length_c   8.64451392
_cell_angle_alpha   102.90557717
_cell_angle_beta   102.90557536
_cell_angle_gamma   116.46626020
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFe2(PO5)2
_chemical_formula_sum   'Ca2 Fe4 P4 O20'
_cell_volume   340.04017040
_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  1  0.49614100  0.99614100  0.50000000  1.0
  Ca  Ca1  1  0.24614100  0.24614100  0.00000000  1.0
  Fe  Fe2  1  0.87097000  0.61943000  0.25065700  1.0
  Fe  Fe3  1  0.36877300  0.62031100  0.74934300  1.0
  Fe  Fe4  1  0.87031100  0.11877300  0.24934300  1.0
  Fe  Fe5  1  0.86943000  0.62097000  0.75065700  1.0
  P  P6  1  0.03761900  0.03745600  0.58491500  1.0
  P  P7  1  0.70270300  0.20254200  0.91508500  1.0
  P  P8  1  0.45254200  0.45270300  0.41508500  1.0
  P  P9  1  0.28745600  0.78761900  0.08491500  1.0
  O  O10  1  0.57292700  0.55095500  0.29786600  1.0
  O  O11  1  0.67166600  0.67325400  0.85529800  1.0
  O  O12  1  0.31249500  0.60305800  0.96695800  1.0
  O  O13  1  0.80095500  0.32292700  0.79786600  1.0
  O  O14  1  0.21596100  0.23607800  0.29705200  1.0
  O  O15  1  0.42538000  0.63671100  0.53155700  1.0
  O  O16  1  0.06636800  0.56795600  0.64470200  1.0
  O  O17  1  0.81795600  0.81636800  0.14470200  1.0
  O  O18  1  0.92325400  0.42166600  0.35529800  1.0
  O  O19  1  0.16890800  0.68902700  0.20294800  1.0
  O  O20  1  0.25309000  0.27506100  0.70213400  1.0
  O  O21  1  0.48607800  0.96596100  0.79705200  1.0
  O  O22  1  0.93902700  0.91890800  0.70294800  1.0
  O  O23  1  0.14382400  0.85515400  0.96844300  1.0
  O  O24  1  0.10515400  0.89382400  0.46844300  1.0
  O  O25  1  0.88671100  0.17538000  0.03155700  1.0
  O  O26  1  0.85305800  0.06249500  0.46695800  1.0
  O  O27  1  0.63610000  0.34553800  0.03304200  1.0
  O  O28  1  0.52506100  0.00309000  0.20213400  1.0
  O  O29  1  0.59553800  0.38610000  0.53304200  1.0