# generated using pymatgen
data_Mn3Ni8N9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86774200
_cell_length_b   9.63436151
_cell_length_c   14.76126792
_cell_angle_alpha   90.00000000
_cell_angle_beta   96.43804865
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Ni8N9
_chemical_formula_sum   'Mn12 Ni32 N36'
_cell_volume   829.22070442
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.51689400  0.94296300  0.24005200  1
  Mn  Mn1  1  0.48310600  0.44296300  0.25994800  1
  Mn  Mn2  1  0.48310600  0.05703700  0.75994800  1
  Mn  Mn3  1  0.51689400  0.55703700  0.74005200  1
  Mn  Mn4  1  0.23606200  0.16816000  0.44656500  1
  Mn  Mn5  1  0.76393800  0.66816000  0.05343500  1
  Mn  Mn6  1  0.76393800  0.83184000  0.55343500  1
  Mn  Mn7  1  0.23606200  0.33184000  0.94656500  1
  Mn  Mn8  1  0.23045000  0.63064500  0.40899900  1
  Mn  Mn9  1  0.76955000  0.13064500  0.09100100  1
  Mn  Mn10  1  0.76955000  0.36935500  0.59100100  1
  Mn  Mn11  1  0.23045000  0.86935500  0.90899900  1
  Ni  Ni12  1  0.45141800  0.12101400  0.91646900  1
  Ni  Ni13  1  0.54858200  0.62101400  0.58353100  1
  Ni  Ni14  1  0.54858200  0.87898600  0.08353100  1
  Ni  Ni15  1  0.45141800  0.37898600  0.41646900  1
  Ni  Ni16  1  0.42135000  0.93287200  0.41758200  1
  Ni  Ni17  1  0.57865000  0.43287200  0.08241800  1
  Ni  Ni18  1  0.57865000  0.06712800  0.58241800  1
  Ni  Ni19  1  0.42135000  0.56712800  0.91758200  1
  Ni  Ni20  1  0.19195700  0.15758900  0.25545200  1
  Ni  Ni21  1  0.80804300  0.65758900  0.24454800  1
  Ni  Ni22  1  0.80804300  0.84241100  0.74454800  1
  Ni  Ni23  1  0.19195700  0.34241100  0.75545200  1
  Ni  Ni24  1  0.26123300  0.67975300  0.21117000  1
  Ni  Ni25  1  0.73876700  0.17975300  0.28883000  1
  Ni  Ni26  1  0.73876700  0.32024700  0.78883000  1
  Ni  Ni27  1  0.26123300  0.82024700  0.71117000  1
  Ni  Ni28  1  0.17116900  0.67193800  0.02551200  1
  Ni  Ni29  1  0.82883100  0.17193800  0.47448800  1
  Ni  Ni30  1  0.82883100  0.32806200  0.97448800  1
  Ni  Ni31  1  0.17116900  0.82806200  0.52551200  1
  Ni  Ni32  1  0.99556700  0.90427000  0.09937400  1
  Ni  Ni33  1  0.00443300  0.40427000  0.40062600  1
  Ni  Ni34  1  0.00443300  0.09573000  0.90062600  1
  Ni  Ni35  1  0.99556700  0.59573000  0.59937400  1
  Ni  Ni36  1  0.01944700  0.89484800  0.35375000  1
  Ni  Ni37  1  0.98055300  0.39484800  0.14625000  1
  Ni  Ni38  1  0.98055300  0.10515200  0.64625000  1
  Ni  Ni39  1  0.01944700  0.60515200  0.85375000  1
  Ni  Ni40  1  0.70419000  0.67551800  0.41416800  1
  Ni  Ni41  1  0.29581000  0.17551800  0.08583200  1
  Ni  Ni42  1  0.29581000  0.32448200  0.58583200  1
  Ni  Ni43  1  0.70419000  0.82448200  0.91416800  1
  N  N44  1  0.47710900  0.55589500  0.36490700  1
  N  N45  1  0.52289100  0.05589500  0.13509300  1
  N  N46  1  0.52289100  0.44410500  0.63509300  1
  N  N47  1  0.47710900  0.94410500  0.86490700  1
  N  N48  1  0.54614500  0.77108400  0.20084800  1
  N  N49  1  0.45385500  0.27108400  0.29915200  1
  N  N50  1  0.45385500  0.22891600  0.79915200  1
  N  N51  1  0.54614500  0.72891600  0.70084800  1
  N  N52  1  0.24312600  0.86792400  0.02666300  1
  N  N53  1  0.75687400  0.36792400  0.47333700  1
  N  N54  1  0.75687400  0.13207600  0.97333700  1
  N  N55  1  0.24312600  0.63207600  0.52666300  1
  N  N56  1  0.52599700  0.11436600  0.45820400  1
  N  N57  1  0.47400300  0.61436600  0.04179600  1
  N  N58  1  0.47400300  0.88563400  0.54179600  1
  N  N59  1  0.52599700  0.38563400  0.95820400  1
  N  N60  1  0.27105400  0.96840600  0.30290700  1
  N  N61  1  0.72894600  0.46840600  0.19709300  1
  N  N62  1  0.72894600  0.03159400  0.69709300  1
  N  N63  1  0.27105400  0.53159400  0.80290700  1
  N  N64  1  0.95037100  0.58463100  0.35968100  1
  N  N65  1  0.04962900  0.08463100  0.14031900  1
  N  N66  1  0.04962900  0.41536900  0.64031900  1
  N  N67  1  0.95037100  0.91536900  0.85968100  1
  N  N68  1  0.98473200  0.72020400  0.14252200  1
  N  N69  1  0.01526800  0.22020400  0.35747800  1
  N  N70  1  0.01526800  0.27979600  0.85747800  1
  N  N71  1  0.98473200  0.77979600  0.64252200  1
  N  N72  1  0.88712700  0.82735300  0.45191500  1
  N  N73  1  0.11287300  0.32735300  0.04808500  1
  N  N74  1  0.11287300  0.17264700  0.54808500  1
  N  N75  1  0.88712700  0.67264700  0.95191500  1
  N  N76  1  0.76503500  0.98863600  0.30255100  1
  N  N77  1  0.23496500  0.48863600  0.19744900  1
  N  N78  1  0.23496500  0.01136400  0.69744900  1
  N  N79  1  0.76503500  0.51136400  0.80255100  1
