# generated using pymatgen
data_Mn5NiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78952400
_cell_length_b   5.51299900
_cell_length_c   4.90033400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5NiN4
_chemical_formula_sum   'Mn10 Ni2 N8'
_cell_volume   210.43816949
_cell_formula_units_Z   2
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  0.53526400  0.51097600  0.25386300  1.0
  Mn  Mn1  1  0.96473600  0.51097600  0.25386300  1.0
  Mn  Mn2  1  0.53526400  0.98902400  0.25386300  1.0
  Mn  Mn3  1  0.96473600  0.98902400  0.25386300  1.0
  Mn  Mn4  1  0.46473600  0.48902400  0.74613700  1.0
  Mn  Mn5  1  0.03526400  0.48902400  0.74613700  1.0
  Mn  Mn6  1  0.46473600  0.01097600  0.74613700  1.0
  Mn  Mn7  1  0.03526400  0.01097600  0.74613700  1.0
  Mn  Mn8  1  0.75000000  0.75000000  0.82993000  1.0
  Mn  Mn9  1  0.25000000  0.25000000  0.17007000  1.0
  Ni  Ni10  1  0.75000000  0.25000000  0.90511100  1.0
  Ni  Ni11  1  0.25000000  0.75000000  0.09488900  1.0
  N  N12  1  0.75000000  0.97633100  0.10835900  1.0
  N  N13  1  0.75000000  0.52366900  0.10835900  1.0
  N  N14  1  0.25000000  0.02366900  0.89164100  1.0
  N  N15  1  0.25000000  0.47633100  0.89164100  1.0
  N  N16  1  0.56732600  0.75000000  0.55560500  1.0
  N  N17  1  0.93267400  0.75000000  0.55560500  1.0
  N  N18  1  0.43267400  0.25000000  0.44439500  1.0
  N  N19  1  0.06732600  0.25000000  0.44439500  1.0