# generated using pymatgen
data_MgNi5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75958700
_cell_length_b   6.00998400
_cell_length_c   4.34853600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi5N4
_chemical_formula_sum   'Mg2 Ni10 N8'
_cell_volume   202.79394904
_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
  Mg  Mg0  1  0.75000000  0.25000000  0.67095300  1.0
  Mg  Mg1  1  0.25000000  0.75000000  0.32904700  1.0
  Ni  Ni2  1  0.58175800  0.53081700  0.26486900  1.0
  Ni  Ni3  1  0.91824200  0.53081700  0.26486900  1.0
  Ni  Ni4  1  0.58175800  0.96918300  0.26486900  1.0
  Ni  Ni5  1  0.91824200  0.96918300  0.26486900  1.0
  Ni  Ni6  1  0.41824200  0.46918300  0.73513100  1.0
  Ni  Ni7  1  0.08175800  0.46918300  0.73513100  1.0
  Ni  Ni8  1  0.41824200  0.03081700  0.73513100  1.0
  Ni  Ni9  1  0.08175800  0.03081700  0.73513100  1.0
  Ni  Ni10  1  0.75000000  0.75000000  0.68251700  1.0
  Ni  Ni11  1  0.25000000  0.25000000  0.31748300  1.0
  N  N12  1  0.75000000  0.99018300  0.97504600  1.0
  N  N13  1  0.75000000  0.50981700  0.97504600  1.0
  N  N14  1  0.25000000  0.00981700  0.02495400  1.0
  N  N15  1  0.25000000  0.49018300  0.02495400  1.0
  N  N16  1  0.50613800  0.75000000  0.56428800  1.0
  N  N17  1  0.99386200  0.75000000  0.56428800  1.0
  N  N18  1  0.49386200  0.25000000  0.43571200  1.0
  N  N19  1  0.00613800  0.25000000  0.43571200  1.0