# generated using pymatgen
data_ZrMnN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38305027
_cell_length_b   4.44150565
_cell_length_c   7.39047991
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnN2
_chemical_formula_sum   'Zr4 Mn4 N8'
_cell_volume   209.52272048
_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
  Zr  Zr0  1  0.75000000  0.59486900  0.62969800  1
  Zr  Zr1  1  0.25000000  0.40513100  0.37030200  1
  Zr  Zr2  1  0.25000000  0.90513100  0.12969800  1
  Zr  Zr3  1  0.75000000  0.09486900  0.87030200  1
  Mn  Mn4  1  0.75000000  0.57822500  0.12696800  1
  Mn  Mn5  1  0.25000000  0.42177500  0.87303200  1
  Mn  Mn6  1  0.25000000  0.92177500  0.62696800  1
  Mn  Mn7  1  0.75000000  0.07822500  0.37303200  1
  N  N8  1  0.25000000  0.58245700  0.62174900  1
  N  N9  1  0.75000000  0.41754300  0.37825100  1
  N  N10  1  0.75000000  0.91754300  0.12174900  1
  N  N11  1  0.25000000  0.08245700  0.87825100  1
  N  N12  1  0.25000000  0.57181800  0.12114700  1
  N  N13  1  0.75000000  0.42818200  0.87885300  1
  N  N14  1  0.75000000  0.92818200  0.62114700  1
  N  N15  1  0.25000000  0.07181800  0.37885300  1
