# generated using pymatgen
data_NdThMgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36336652
_cell_length_b   7.36336652
_cell_length_c   4.37529558
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.47479387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdThMgSi2
_chemical_formula_sum   'Nd2 Th2 Mg2 Si4'
_cell_volume   237.21673460
_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  0.17835496  0.32164504  0.50000000  1.0
  Nd  Nd1  1  0.82164504  0.67835496  0.50000000  1.0
  Th  Th2  1  0.67837819  0.17837819  0.50000000  1.0
  Th  Th3  1  0.32162181  0.82162181  0.50000000  1.0
  Mg  Mg4  1  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg5  1  0.50000000  0.50000000  0.00000000  1.0
  Si  Si6  1  0.11624912  0.61624912  0.00000000  1.0
  Si  Si7  1  0.88375088  0.38375088  0.00000000  1.0
  Si  Si8  1  0.61499331  0.88500669  0.00000000  1.0
  Si  Si9  1  0.38500669  0.11499331  0.00000000  1.0