# generated using pymatgen
data_Ca8Fe2CuN8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22153328
_cell_length_b   4.98041304
_cell_length_c   7.05542019
_cell_angle_alpha   90.00001037
_cell_angle_beta   74.78063125
_cell_angle_gamma   74.33321398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca8Fe2CuN8
_chemical_formula_sum   'Ca8 Fe2 Cu1 N8'
_cell_volume   300.17617629
_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  0.06049996  0.96975002  0.74357101  1.0
  Ca  Ca1  1  0.93950004  0.03024998  0.25642899  1.0
  Ca  Ca2  1  0.67012653  0.66493773  0.46961894  1.0
  Ca  Ca3  1  0.32987347  0.33506227  0.53038106  1.0
  Ca  Ca4  1  0.81849227  0.59075436  0.97160343  1.0
  Ca  Ca5  1  0.18150773  0.40924564  0.02839657  1.0
  Ca  Ca6  1  0.59963562  0.20018269  0.81057630  1.0
  Ca  Ca7  1  0.40036438  0.79981731  0.18942370  1.0
  Fe  Fe8  1  0.37729856  0.81134972  0.79050973  1.0
  Fe  Fe9  1  0.62270144  0.18865028  0.20949027  1.0
  Cu  Cu10  1  0.00000000  0.50000000  0.50000000  1.0
  N  N11  1  0.21097134  0.89451433  0.99329145  1.0
  N  N12  1  0.78902866  0.10548567  0.00670855  1.0
  N  N13  1  0.35155292  0.82422304  0.55588272  1.0
  N  N14  1  0.64844708  0.17577696  0.44411728  1.0
  N  N15  1  0.56293393  0.71853304  0.82920018  1.0
  N  N16  1  0.43706607  0.28146696  0.17079982  1.0
  N  N17  1  0.06091309  0.46954395  0.73231370  1.0
  N  N18  1  0.93908691  0.53045605  0.26768630  1.0