# generated using pymatgen
data_MgNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97140878
_cell_length_b   7.97140878
_cell_length_c   7.97140883
_cell_angle_alpha   21.09326359
_cell_angle_beta   21.09326359
_cell_angle_gamma   21.09325621
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb2
_chemical_formula_sum   'Mg1 Nb2'
_cell_volume   57.45717735
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.77785500  0.77785500  0.77785500  1.0
  Nb  Nb2  1  0.22214500  0.22214500  0.22214500  1.0