# generated using pymatgen
data_LiCa8(FeN4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28590068
_cell_length_b   4.96535984
_cell_length_c   7.14890246
_cell_angle_alpha   90.00000760
_cell_angle_beta   73.53888090
_cell_angle_gamma   74.49277115
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa8(FeN4)2
_chemical_formula_sum   'Li1 Ca8 Fe2 N8'
_cell_volume   303.57722539
_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
  Li  Li0  1  0.00000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.06451253  0.96774374  0.75130837  1.0
  Ca  Ca2  1  0.93548747  0.03225626  0.24869163  1.0
  Ca  Ca3  1  0.66908774  0.66545713  0.46252560  1.0
  Ca  Ca4  1  0.33091226  0.33454287  0.53747440  1.0
  Ca  Ca5  1  0.82088660  0.58955720  0.97011356  1.0
  Ca  Ca6  1  0.17911340  0.41044280  0.02988644  1.0
  Ca  Ca7  1  0.59959707  0.20020196  0.81176338  1.0
  Ca  Ca8  1  0.40040293  0.79979804  0.18823662  1.0
  Fe  Fe9  1  0.37948427  0.81025687  0.79091044  1.0
  Fe  Fe10  1  0.62051573  0.18974313  0.20908956  1.0
  N  N11  1  0.21282858  0.89358621  0.99524955  1.0
  N  N12  1  0.78717142  0.10641379  0.00475045  1.0
  N  N13  1  0.35279286  0.82360407  0.56009272  1.0
  N  N14  1  0.64720714  0.17639593  0.43990728  1.0
  N  N15  1  0.56490707  0.71754696  0.82467292  1.0
  N  N16  1  0.43509293  0.28245304  0.17532708  1.0
  N  N17  1  0.06213125  0.46893487  0.73159526  1.0
  N  N18  1  0.93786875  0.53106513  0.26840474  1.0