# generated using pymatgen
data_MnNiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62036331
_cell_length_b   2.62036331
_cell_length_c   11.98478671
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiN2
_chemical_formula_sum   'Mn2 Ni2 N4'
_cell_volume   71.26625883
_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  0.33333300  0.66666700  0.25000000  1
  Mn  Mn1  1  0.66666700  0.33333300  0.75000000  1
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni3  1  0.00000000  0.00000000  0.50000000  1
  N  N4  1  0.00000000  0.00000000  0.84829300  1
  N  N5  1  0.00000000  0.00000000  0.15170700  1
  N  N6  1  0.00000000  0.00000000  0.34829300  1
  N  N7  1  0.00000000  0.00000000  0.65170700  1
