# generated using pymatgen
data_MnCrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08421741
_cell_length_b   6.15837388
_cell_length_c   4.94680440
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrN2
_chemical_formula_sum   'Mn4 Cr4 N8'
_cell_volume   154.88697703
_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  0.94465300  0.56952800  0.88578300  1
  Mn  Mn1  1  0.44465300  0.43047200  0.11421700  1
  Mn  Mn2  1  0.44465300  0.93047200  0.38578300  1
  Mn  Mn3  1  0.94465300  0.06952800  0.61421700  1
  Cr  Cr4  1  0.03510400  0.59349400  0.35447500  1
  Cr  Cr5  1  0.53510400  0.40650600  0.64552500  1
  Cr  Cr6  1  0.53510400  0.90650600  0.85447500  1
  Cr  Cr7  1  0.03510400  0.09349400  0.14552500  1
  N  N8  1  0.33364800  0.58604600  0.85854000  1
  N  N9  1  0.83364800  0.41395400  0.14146000  1
  N  N10  1  0.83364800  0.91395400  0.35854000  1
  N  N11  1  0.33364800  0.08604600  0.64146000  1
  N  N12  1  0.40859500  0.57100800  0.39334200  1
  N  N13  1  0.90859500  0.42899200  0.60665800  1
  N  N14  1  0.90859500  0.92899200  0.89334200  1
  N  N15  1  0.40859500  0.07100800  0.10665800  1
