# generated using pymatgen
data_MnSiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32169824
_cell_length_b   6.53147868
_cell_length_c   5.12270048
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiN2
_chemical_formula_sum   'Mn4 Si4 N8'
_cell_volume   178.05768480
_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  0.00152100  0.58035000  0.87610200  1
  Mn  Mn1  1  0.50152100  0.41965000  0.12389800  1
  Mn  Mn2  1  0.50152100  0.91965000  0.37610200  1
  Mn  Mn3  1  0.00152100  0.08035000  0.62389800  1
  Si  Si4  1  0.00660500  0.06811400  0.12526300  1
  Si  Si5  1  0.50660500  0.43188600  0.62526300  1
  Si  Si6  1  0.50660500  0.93188600  0.87473700  1
  Si  Si7  1  0.00660500  0.56811400  0.37473700  1
  N  N8  1  0.34732900  0.54809200  0.40760200  1
  N  N9  1  0.84732900  0.45190800  0.59239800  1
  N  N10  1  0.84732900  0.95190800  0.90760200  1
  N  N11  1  0.34732900  0.04809200  0.09239800  1
  N  N12  1  0.41854500  0.61355200  0.84112300  1
  N  N13  1  0.41854500  0.11355200  0.65887700  1
  N  N14  1  0.91854500  0.88644800  0.34112300  1
  N  N15  1  0.91854500  0.38644800  0.15887700  1
