# generated using pymatgen
data_Ca5(FeN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00860000
_cell_length_b   8.00860000
_cell_length_c   12.45936100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5(FeN2)2
_chemical_formula_sum   'Ca20 Fe8 N16'
_cell_volume   799.11443357
_cell_formula_units_Z   4
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  0.75000000  0.75000000  0.34959400  1.0
  Ca  Ca1  1  0.75000000  0.75000000  0.84959400  1.0
  Ca  Ca2  1  0.25000000  0.25000000  0.65040600  1.0
  Ca  Ca3  1  0.25000000  0.25000000  0.15040600  1.0
  Ca  Ca4  1  0.13137700  0.57463400  0.40931600  1.0
  Ca  Ca5  1  0.36862300  0.57463400  0.90931600  1.0
  Ca  Ca6  1  0.13137700  0.92536600  0.90931600  1.0
  Ca  Ca7  1  0.36862300  0.92536600  0.40931600  1.0
  Ca  Ca8  1  0.57463400  0.13137700  0.90931600  1.0
  Ca  Ca9  1  0.92536600  0.13137700  0.40931600  1.0
  Ca  Ca10  1  0.57463400  0.36862300  0.40931600  1.0
  Ca  Ca11  1  0.92536600  0.36862300  0.90931600  1.0
  Ca  Ca12  1  0.86862300  0.42536600  0.59068400  1.0
  Ca  Ca13  1  0.63137700  0.42536600  0.09068400  1.0
  Ca  Ca14  1  0.86862300  0.07463400  0.09068400  1.0
  Ca  Ca15  1  0.63137700  0.07463400  0.59068400  1.0
  Ca  Ca16  1  0.42536600  0.86862300  0.09068400  1.0
  Ca  Ca17  1  0.07463400  0.86862300  0.59068400  1.0
  Ca  Ca18  1  0.42536600  0.63137700  0.59068400  1.0
  Ca  Ca19  1  0.07463400  0.63137700  0.09068400  1.0
  Fe  Fe20  1  0.10515400  0.89484600  0.25000000  1.0
  Fe  Fe21  1  0.39484600  0.89484600  0.75000000  1.0
  Fe  Fe22  1  0.10515400  0.60515400  0.75000000  1.0
  Fe  Fe23  1  0.39484600  0.60515400  0.25000000  1.0
  Fe  Fe24  1  0.89484600  0.10515400  0.75000000  1.0
  Fe  Fe25  1  0.60515400  0.10515400  0.25000000  1.0
  Fe  Fe26  1  0.89484600  0.39484600  0.25000000  1.0
  Fe  Fe27  1  0.60515400  0.39484600  0.75000000  1.0
  N  N28  1  0.63814600  0.05236600  0.39286700  1.0
  N  N29  1  0.86185400  0.05236600  0.89286700  1.0
  N  N30  1  0.63814600  0.44763400  0.89286700  1.0
  N  N31  1  0.86185400  0.44763400  0.39286700  1.0
  N  N32  1  0.05236600  0.63814600  0.89286700  1.0
  N  N33  1  0.44763400  0.63814600  0.39286700  1.0
  N  N34  1  0.05236600  0.86185400  0.39286700  1.0
  N  N35  1  0.44763400  0.86185400  0.89286700  1.0
  N  N36  1  0.36185400  0.94763400  0.60713300  1.0
  N  N37  1  0.13814600  0.94763400  0.10713300  1.0
  N  N38  1  0.36185400  0.55236600  0.10713300  1.0
  N  N39  1  0.13814600  0.55236600  0.60713300  1.0
  N  N40  1  0.94763400  0.36185400  0.10713300  1.0
  N  N41  1  0.55236600  0.36185400  0.60713300  1.0
  N  N42  1  0.94763400  0.13814600  0.60713300  1.0
  N  N43  1  0.55236600  0.13814600  0.10713300  1.0