# generated using pymatgen
data_Ca(FeN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51507000
_cell_length_b   3.51507000
_cell_length_c   6.01653500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(FeN)2
_chemical_formula_sum   'Ca1 Fe2 N2'
_cell_volume   74.33860441
_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  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.50000000  0.50000000  0.68772100  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.31227900  1.0
  N  N3  1  0.50000000  0.00000000  0.28607000  1.0
  N  N4  1  0.00000000  0.50000000  0.71393000  1.0