# generated using pymatgen
data_NdTh3(MgNi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63213166
_cell_length_b   7.63213166
_cell_length_c   3.69101858
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.81722679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh3(MgNi2)2
_chemical_formula_sum   'Nd1 Th3 Mg2 Ni4'
_cell_volume   214.95393294
_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
  Nd  Nd0  1  0.66978516  0.16978516  0.50000000  1.0
  Th  Th1  1  0.33171656  0.83171656  0.50000000  1.0
  Th  Th2  1  0.83044329  0.66989605  0.50000000  1.0
  Th  Th3  1  0.16989605  0.33044329  0.50000000  1.0
  Mg  Mg4  1  0.50035828  0.49855430  0.00000000  1.0
  Mg  Mg5  1  0.99855430  0.00035828  0.00000000  1.0
  Ni  Ni6  1  0.12971001  0.62971001  0.00000000  1.0
  Ni  Ni7  1  0.62119061  0.86177313  0.00000000  1.0
  Ni  Ni8  1  0.88657260  0.38657260  0.00000000  1.0
  Ni  Ni9  1  0.36177313  0.12119061  0.00000000  1.0