# generated using pymatgen
data_Mg3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87748300
_cell_length_b   5.06548400
_cell_length_c   5.62126900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Nb
_chemical_formula_sum   'Mg3 Nb1'
_cell_volume   81.93474057
_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  0.65314100  1.0
  Mg  Mg1  1  0.00000000  0.50000000  0.32743800  1.0
  Mg  Mg2  1  0.50000000  0.50000000  0.86404400  1.0
  Nb  Nb3  1  0.50000000  0.00000000  0.15537700  1.0