# generated using pymatgen
data_Mn5NiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51299858
_cell_length_b   7.78952392
_cell_length_c   4.90033435
_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   210.43816632
_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  0.74613700  0.26097600  0.28526400  1
  Mn  Mn1  1  0.74613700  0.26097600  0.71473600  1
  Mn  Mn2  1  0.74613700  0.73902400  0.28526400  1
  Mn  Mn3  1  0.74613700  0.73902400  0.71473600  1
  Mn  Mn4  1  0.25386300  0.23902400  0.21473600  1
  Mn  Mn5  1  0.25386300  0.23902400  0.78526400  1
  Mn  Mn6  1  0.25386300  0.76097600  0.21473600  1
  Mn  Mn7  1  0.25386300  0.76097600  0.78526400  1
  Mn  Mn8  1  0.17007000  0.50000000  0.50000000  1
  Mn  Mn9  1  0.82993000  0.00000000  0.00000000  1
  Ni  Ni10  1  0.09488900  0.00000000  0.50000000  1
  Ni  Ni11  1  0.90511100  0.50000000  0.00000000  1
  N  N12  1  0.89164100  0.72633100  0.50000000  1
  N  N13  1  0.89164100  0.27366900  0.50000000  1
  N  N14  1  0.10835900  0.77366900  0.00000000  1
  N  N15  1  0.10835900  0.22633100  0.00000000  1
  N  N16  1  0.44439500  0.50000000  0.31732600  1
  N  N17  1  0.44439500  0.50000000  0.68267400  1
  N  N18  1  0.55560500  0.00000000  0.18267400  1
  N  N19  1  0.55560500  0.00000000  0.81732600  1
