# generated using pymatgen
data_MnZnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21225006
_cell_length_b   11.11192510
_cell_length_c   13.04874661
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnZnN2
_chemical_formula_sum   'Mn16 Zn16 N32'
_cell_volume   755.75903211
_cell_formula_units_Z   16
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  0.63204200  0.95253900  0.43646800  1
  Mn  Mn1  1  0.13204200  0.54746100  0.56353200  1
  Mn  Mn2  1  0.36795800  0.45253900  0.06353200  1
  Mn  Mn3  1  0.86795800  0.04746100  0.93646800  1
  Mn  Mn4  1  0.36795800  0.04746100  0.56353200  1
  Mn  Mn5  1  0.86795800  0.45253900  0.43646800  1
  Mn  Mn6  1  0.63204200  0.54746100  0.93646800  1
  Mn  Mn7  1  0.13204200  0.95253900  0.06353200  1
  Mn  Mn8  1  0.80661200  0.29534300  0.30469300  1
  Mn  Mn9  1  0.30661200  0.20465700  0.69530700  1
  Mn  Mn10  1  0.19338800  0.79534300  0.19530700  1
  Mn  Mn11  1  0.69338800  0.70465700  0.80469300  1
  Mn  Mn12  1  0.19338800  0.70465700  0.69530700  1
  Mn  Mn13  1  0.69338800  0.79534300  0.30469300  1
  Mn  Mn14  1  0.80661200  0.20465700  0.80469300  1
  Mn  Mn15  1  0.30661200  0.29534300  0.19530700  1
  Zn  Zn16  1  0.58480300  0.04490200  0.17793100  1
  Zn  Zn17  1  0.08480300  0.45509800  0.82206900  1
  Zn  Zn18  1  0.41519700  0.54490200  0.32206900  1
  Zn  Zn19  1  0.91519700  0.95509800  0.67793100  1
  Zn  Zn20  1  0.41519700  0.95509800  0.82206900  1
  Zn  Zn21  1  0.91519700  0.54490200  0.17793100  1
  Zn  Zn22  1  0.58480300  0.45509800  0.67793100  1
  Zn  Zn23  1  0.08480300  0.04490200  0.32206900  1
  Zn  Zn24  1  0.84870000  0.29238300  0.07141000  1
  Zn  Zn25  1  0.34870000  0.20761700  0.92859000  1
  Zn  Zn26  1  0.15130000  0.79238300  0.42859000  1
  Zn  Zn27  1  0.65130000  0.70761700  0.57141000  1
  Zn  Zn28  1  0.15130000  0.70761700  0.92859000  1
  Zn  Zn29  1  0.65130000  0.79238300  0.07141000  1
  Zn  Zn30  1  0.84870000  0.20761700  0.57141000  1
  Zn  Zn31  1  0.34870000  0.29238300  0.42859000  1
  N  N32  1  0.77720600  0.46588200  0.30455900  1
  N  N33  1  0.27720600  0.03411800  0.69544100  1
  N  N34  1  0.22279400  0.96588200  0.19544100  1
  N  N35  1  0.72279400  0.53411800  0.80455900  1
  N  N36  1  0.22279400  0.53411800  0.69544100  1
  N  N37  1  0.72279400  0.96588200  0.30455900  1
  N  N38  1  0.77720600  0.03411800  0.80455900  1
  N  N39  1  0.27720600  0.46588200  0.19544100  1
  N  N40  1  0.74472200  0.29920700  0.44648000  1
  N  N41  1  0.24472200  0.20079300  0.55352000  1
  N  N42  1  0.25527800  0.79920700  0.05352000  1
  N  N43  1  0.75527800  0.70079300  0.94648000  1
  N  N44  1  0.25527800  0.70079300  0.55352000  1
  N  N45  1  0.75527800  0.79920700  0.44648000  1
  N  N46  1  0.74472200  0.20079300  0.94648000  1
  N  N47  1  0.24472200  0.29920700  0.05352000  1
  N  N48  1  0.71039300  0.46580800  0.05583000  1
  N  N49  1  0.21039300  0.03419200  0.94417000  1
  N  N50  1  0.28960700  0.96580800  0.44417000  1
  N  N51  1  0.78960700  0.53419200  0.55583000  1
  N  N52  1  0.28960700  0.53419200  0.94417000  1
  N  N53  1  0.78960700  0.96580800  0.05583000  1
  N  N54  1  0.71039300  0.03419200  0.55583000  1
  N  N55  1  0.21039300  0.46580800  0.44417000  1
  N  N56  1  0.63227000  0.22561500  0.19541500  1
  N  N57  1  0.13227000  0.27438500  0.80458500  1
  N  N58  1  0.36773000  0.72561500  0.30458500  1
  N  N59  1  0.86773000  0.77438500  0.69541500  1
  N  N60  1  0.36773000  0.77438500  0.80458500  1
  N  N61  1  0.86773000  0.72561500  0.19541500  1
  N  N62  1  0.63227000  0.27438500  0.69541500  1
  N  N63  1  0.13227000  0.22561500  0.30458500  1
