# generated using pymatgen
data_Ca8Fe3N8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28055286
_cell_length_b   5.00385411
_cell_length_c   7.12366062
_cell_angle_alpha   90.00000665
_cell_angle_beta   74.53780205
_cell_angle_gamma   74.36024784
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8Fe3N8
_chemical_formula_sum   'Ca8 Fe3 N8'
_cell_volume   306.11233354
_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  0.05898900  0.97050600  0.74226500  1.0
  Ca  Ca1  1  0.94101100  0.02949400  0.25773500  1.0
  Ca  Ca2  1  0.66788300  0.66605900  0.46942700  1.0
  Ca  Ca3  1  0.33211700  0.33394100  0.53057300  1.0
  Ca  Ca4  1  0.81446600  0.59276800  0.96481000  1.0
  Ca  Ca5  1  0.18553400  0.40723200  0.03519000  1.0
  Ca  Ca6  1  0.60123300  0.19938400  0.80811500  1.0
  Ca  Ca7  1  0.39876700  0.80061600  0.19188500  1.0
  Fe  Fe8  1  0.00000000  0.50000000  0.50000000  1.0
  Fe  Fe9  1  0.37556400  0.81221700  0.79346600  1.0
  Fe  Fe10  1  0.62443600  0.18778300  0.20653400  1.0
  N  N11  1  0.20873400  0.89563300  0.99602300  1.0
  N  N12  1  0.79126600  0.10436700  0.00397700  1.0
  N  N13  1  0.35474600  0.82262700  0.55753300  1.0
  N  N14  1  0.64525400  0.17737300  0.44246700  1.0
  N  N15  1  0.56062100  0.71969000  0.83153800  1.0
  N  N16  1  0.43937900  0.28031000  0.16846200  1.0
  N  N17  1  0.05926700  0.47036700  0.72844300  1.0
  N  N18  1  0.94073300  0.52963300  0.27155700  1.0