# generated using pymatgen
data_NdMg5Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14455100
_cell_length_b   5.60938028
_cell_length_c   14.30407000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.68048627
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdMg5Ni
_chemical_formula_sum   'Nd2 Mg10 Ni2'
_cell_volume   309.02137116
_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
  Nd  Nd0  1  0.61454500  0.22909000  0.25000000  1.0
  Nd  Nd1  1  0.38545500  0.77091000  0.75000000  1.0
  Mg  Mg2  1  0.90083800  0.80167600  0.35797500  1.0
  Mg  Mg3  1  0.09916200  0.19832400  0.64202500  1.0
  Mg  Mg4  1  0.90083800  0.80167600  0.14202500  1.0
  Mg  Mg5  1  0.09916200  0.19832400  0.85797500  1.0
  Mg  Mg6  1  0.20556500  0.41113100  0.42563900  1.0
  Mg  Mg7  1  0.79443500  0.58886900  0.57436100  1.0
  Mg  Mg8  1  0.20556500  0.41113100  0.07436100  1.0
  Mg  Mg9  1  0.79443500  0.58886900  0.92563900  1.0
  Mg  Mg10  1  0.50000000  0.00000000  0.50000000  1.0
  Mg  Mg11  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni12  1  0.31635600  0.63271100  0.25000000  1.0
  Ni  Ni13  1  0.68364400  0.36728900  0.75000000  1.0