# generated using pymatgen
data_Ca2FeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97735312
_cell_length_b   5.97735312
_cell_length_c   6.71369931
_cell_angle_alpha   61.72289361
_cell_angle_beta   61.72289361
_cell_angle_gamma   49.07233754
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2FeN2
_chemical_formula_sum   'Ca4 Fe2 N4'
_cell_volume   154.71841809
_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  0.31897600  0.31897600  0.60221500  1.0
  Ca  Ca1  1  0.68102400  0.68102400  0.39778500  1.0
  Ca  Ca2  1  0.95884700  0.95884700  0.77543200  1.0
  Ca  Ca3  1  0.04115300  0.04115300  0.22456800  1.0
  Fe  Fe4  1  0.62682100  0.62682100  0.87070200  1.0
  Fe  Fe5  1  0.37317900  0.37317900  0.12929800  1.0
  N  N6  1  0.80931700  0.80931700  0.62028600  1.0
  N  N7  1  0.19068300  0.19068300  0.37971400  1.0
  N  N8  1  0.51931000  0.51931000  0.19622400  1.0
  N  N9  1  0.48069000  0.48069000  0.80377600  1.0