# generated using pymatgen
data_NaCa5(FeN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14456968
_cell_length_b   7.08441988
_cell_length_c   4.96547059
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.60912427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCa5(FeN3)2
_chemical_formula_sum   'Na1 Ca5 Fe2 N6'
_cell_volume   220.64249670
_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
  Na  Na0  1  0.26819727  0.91345661  0.75000000  1.0
  Ca  Ca1  1  0.62801442  0.72273899  0.75000000  1.0
  Ca  Ca2  1  0.09045694  0.37378727  0.75000000  1.0
  Ca  Ca3  1  0.72530095  0.08653297  0.25000000  1.0
  Ca  Ca4  1  0.35810773  0.26312982  0.25000000  1.0
  Ca  Ca5  1  0.91911324  0.64373755  0.25000000  1.0
  Fe  Fe6  1  0.33666958  0.66738548  0.25000000  1.0
  Fe  Fe7  1  0.65986050  0.32396040  0.75000000  1.0
  N  N8  1  0.30308535  0.89214311  0.25000000  1.0
  N  N9  1  0.59695643  0.70315953  0.25000000  1.0
  N  N10  1  0.11008601  0.41164545  0.25000000  1.0
  N  N11  1  0.71714005  0.11187299  0.75000000  1.0
  N  N12  1  0.41105709  0.30888674  0.75000000  1.0
  N  N13  1  0.87595445  0.57756309  0.75000000  1.0